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- ChemComp-FG9: ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine -

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Basic information

EntryDatabase: PDB chemical components / ID: FG9
NameName: ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine

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Chemical information

Composition
Formula: C18H22N6O / Number of atoms: 47 / Formula weight: 338.407 / Formal charge: 0
Others

6q8k

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FG9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Q8K
History
Create componentDec 15, 2018
Initial releaseFeb 20, 2019
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385Nc1c2ccncc2cc3cnc(NCCCN4CCOCC4)nc13
OpenEye OEToolkits 2.0.6c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N

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SMILES CANONICAL

CACTVS 3.385Nc1c2ccncc2cc3cnc(NCCCN4CCOCC4)nc13
OpenEye OEToolkits 2.0.6c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N

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InChI

InChI 1.03InChI=1S/C18H22N6O/c19-16-15-2-4-20-11-13(15)10-14-12-22-18(23-17(14)16)21-3-1-5-24-6-8-25-9-7-24/h2,4,10-12H,1,3,5-9,19H2,(H,21,22,23)

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InChIKey

InChI 1.03LRBZZLHCFITOFC-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine

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PDB entries

Showing all 1 items

PDB-6q8k:
CLK1 with bound pyridoquinazoline

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