English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1AE4

Summary

Name:	N-{2-[4-(2-hydroxypropan-2-yl)phenyl]-4-oxo-1,4-dihydroquinazolin-7-yl}-4-methoxy-6-phenylpyridine-3-carboxamide
Formula:	C30 H26 N4 O4
Formal charge:	0
Formula weight:	506.552 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{2-[4-(2-hydroxypropan-2-yl)phenyl]-4-oxo-1,4-dihydroquinazolin-7-yl}-4-methoxy-6-phenylpyridine-3-carboxamide
OpenEye OEToolkits	2.0.7	4-methoxy-~{N}-[4-oxidanylidene-2-[4-(2-oxidanylpropan-2-yl)phenyl]-1~{H}-quinazolin-7-yl]-6-phenyl-pyridine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1cc(ncc1C(=O)Nc1ccc2c(c1)NC(=NC2=O)c1ccc(cc1)C(C)(C)O)c1ccccc1
InChI	InChI	1.06	InChI=1S/C30H26N4O4/c1-30(2,37)20-11-9-19(10-12-20)27-33-25-15-21(13-14-22(25)28(35)34-27)32-29(36)23-17-31-24(16-26(23)38-3)18-7-5-4-6-8-18/h4-17,37H,1-3H3,(H,32,36)(H,33,34,35)
InChIKey	InChI	1.06	KVOHBVVFLUPAFE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(ncc1C(=O)Nc2ccc3C(=O)N=C(Nc3c2)c4ccc(cc4)C(C)(C)O)c5ccccc5
SMILES	CACTVS	3.385	COc1cc(ncc1C(=O)Nc2ccc3C(=O)N=C(Nc3c2)c4ccc(cc4)C(C)(C)O)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)(c1ccc(cc1)C2=NC(=O)c3ccc(cc3N2)NC(=O)c4cnc(cc4OC)c5ccccc5)O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(c1ccc(cc1)C2=NC(=O)c3ccc(cc3N2)NC(=O)c4cnc(cc4OC)c5ccccc5)O

247536

PDB entries from 2026-01-14

PDB statistics

PDBj update info

Contact PDBj

numon