N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide

C18H17N3O2 — CID 58574227

IUPACN-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc3c(=O)n(C)cnc3c2)cc1
InChIInChI=1S/C18H17N3O2/c1-3-12-4-7-14(8-5-12)20-17(22)13-6-9-15-16(10-13)19-11-21(2)18(15)23/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyHJNBZSXZGJSZJP-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.75
Rot. Bonds3

About N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide

N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide (PubChem CID 58574227) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide
PubChem CID58574227
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc3c(=O)n(C)cnc3c2)cc1
InChIInChI=1S/C18H17N3O2/c1-3-12-4-7-14(8-5-12)20-17(22)13-6-9-15-16(10-13)19-11-21(2)18(15)23/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyHJNBZSXZGJSZJP-UHFFFAOYSA-N
XLogP2.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide 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-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775922
N-(4-ethylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051598
6-fluoro-N-(3-methyl-4-oxoquinazolin-7-yl)naphthalene-1-carboxamide
CID 167968893
3-methyl-7-[2-(methylamino)ethylamino]quinazolin-4-one
CID 142210275
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068
4-oxo-3-propylquinazoline-7-carbohydrazide
CID 66485394
N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160
N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide
CID 134697033
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide
CID 53052524
N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692366
N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide
CID 45495109

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide (CID 58574227) is N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide is CCc1ccc(NC(=O)c2ccc3c(=O)n(C)cnc3c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide?
The InChIKey is HJNBZSXZGJSZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-12-4-7-14(8-5-12)20-17(22)13-6-9-15-16(10-13)19-11-21(2)18(15)23/h4-11H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide?
N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 58574227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).