N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide

C17H17N3O3 — CID 3139680

IUPACN-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
SMILESCOc1ccc(C2CC(=O)c3cnc(NC(C)=O)nc3C2)cc1
InChIInChI=1S/C17H17N3O3/c1-10(21)19-17-18-9-14-15(20-17)7-12(8-16(14)22)11-3-5-13(23-2)6-4-11/h3-6,9,12H,7-8H2,1-2H3,(H,18,19,20,21)
InChIKeyJYAHUPJSYMRNRP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.36
Rot. Bonds3

About N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide

N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide (PubChem CID 3139680) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
PubChem CID3139680
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
SMILESCOc1ccc(C2CC(=O)c3cnc(NC(C)=O)nc3C2)cc1
InChIInChI=1S/C17H17N3O3/c1-10(21)19-17-18-9-14-15(20-17)7-12(8-16(14)22)11-3-5-13(23-2)6-4-11/h3-6,9,12H,7-8H2,1-2H3,(H,18,19,20,21)
InChIKeyJYAHUPJSYMRNRP-UHFFFAOYSA-N
XLogP2.36
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 831476
N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3834422
2-ethyl-N-[(7R)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide
CID 7354512
N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide
CID 40665128
(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1415093
3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 5174165
(7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 7342552
N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide
CID 5164971
2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide
CID 2022304
N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide
CID 2985635
N-[(7S)-7-(4-tert-butylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2044089
2-methyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 7354569

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
The IUPAC name of N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide (CID 3139680) is N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide.
What is the SMILES notation for N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
The canonical SMILES for N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide is COc1ccc(C2CC(=O)c3cnc(NC(C)=O)nc3C2)cc1.
What is the InChIKey of N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
The InChIKey is JYAHUPJSYMRNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10(21)19-17-18-9-14-15(20-17)7-12(8-16(14)22)11-3-5-13(23-2)6-4-11/h3-6,9,12H,7-8H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide is sourced from PubChem (CID 3139680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).