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Summary Geometry Related PDB entries

P4O

Summary

Name:	2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Formula:	C21 H16 N4 O
Formal charge:	0
Formula weight:	340.378 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
OpenEye OEToolkits	1.5.0	2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2c1cc(nc1CCN2)c5ccnc(c3cc4ccccc4nc3)c5
SMILES_CANONICAL	CACTVS	3.341	O=C1NCCc2[nH]c(cc12)c3ccnc(c3)c4cnc5ccccc5c4
SMILES	CACTVS	3.341	O=C1NCCc2[nH]c(cc12)c3ccnc(c3)c4cnc5ccccc5c4
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4)CCNC5=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4)CCNC5=O
InChI	InChI	1.03	InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
InChIKey	InChI	1.03	OWFLADWRSCINST-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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