4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide

C27H27N5O4 — CID 66763084

IUPAC4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(CCCO)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1
InChIInChI=1S/C27H27N5O4/c1-36-20-12-10-17(11-13-20)27(35)31-19-6-2-5-18(15-19)23(9-4-14-33)32-26-22-8-3-7-21(25(28)34)24(22)29-16-30-26/h2-3,5-8,10-13,15-16,23,33H,4,9,14H2,1H3,(H2,28,34)(H,31,35)(H,29,30,32)
InChIKeyCULKZYMOQOURDY-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.92
Rot. Bonds10

About 4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide

4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide (PubChem CID 66763084) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is 4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide
PubChem CID66763084
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC Name4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(CCCO)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1
InChIInChI=1S/C27H27N5O4/c1-36-20-12-10-17(11-13-20)27(35)31-19-6-2-5-18(15-19)23(9-4-14-33)32-26-22-8-3-7-21(25(28)34)24(22)29-16-30-26/h2-3,5-8,10-13,15-16,23,33H,4,9,14H2,1H3,(H2,28,34)(H,31,35)(H,29,30,32)
InChIKeyCULKZYMOQOURDY-UHFFFAOYSA-N
XLogP3.92
TPSA139.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide with MolForge

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Related Compounds

4-[[3-(but-3-enylamino)-1-[3-[(4-methoxybenzoyl)amino]phenyl]propyl]amino]quinazoline-8-carboxamide
CID 66763853
4-[[1-[3-[(2,3-difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763379
4-[[3-(dimethylamino)-1-[3-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]propyl]amino]quinazoline-8-carboxamide
CID 66764028
4-[[1-[3-[(2,4-difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 46868957
4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763260
4-[[(1R)-1-[3-[(2-fluoro-4-methoxybenzoyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 66763046
4-[[(1R)-1-[3-[(5,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869254
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869252
4-[1-[3-[(2,3,5-trifluoro-4-methoxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 87139027
4-[1-[3-[(4-fluorobenzoyl)amino]phenyl]butoxy]quinazoline-8-carboxamide
CID 91045345
4-[[2-(dimethylamino)-1-[3-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxylic acid
CID 142788365
4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 158319188

Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide (CID 66763084) is 4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide is COc1ccc(C(=O)Nc2cccc(C(CCCO)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1.
What is the InChIKey of 4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide?
The InChIKey is CULKZYMOQOURDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-36-20-12-10-17(11-13-20)27(35)31-19-6-2-5-18(15-19)23(9-4-14-33)32-26-22-8-3-7-21(25(28)34)24(22)29-16-30-26/h2-3,5-8,10-13,15-16,23,33H,4,9,14H2,1H3,(H2,28,34)(H,31,35)(H,29,30,32).
What are the key properties of 4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide?
4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 3.92, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).