N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide

C16H15N3O2S — CID 155967432

IUPACN-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide
SMILESCC(C(=O)Nc1ccc2ncn(C)c(=O)c2c1)c1ccsc1
InChIInChI=1S/C16H15N3O2S/c1-10(11-5-6-22-8-11)15(20)18-12-3-4-14-13(7-12)16(21)19(2)9-17-14/h3-10H,1-2H3,(H,18,20)
InChIKeySJLHZWBEIZUCAZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.74
Rot. Bonds3

About N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide

N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide (PubChem CID 155967432) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide
PubChem CID155967432
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide
SMILESCC(C(=O)Nc1ccc2ncn(C)c(=O)c2c1)c1ccsc1
InChIInChI=1S/C16H15N3O2S/c1-10(11-5-6-22-8-11)15(20)18-12-3-4-14-13(7-12)16(21)19(2)9-17-14/h3-10H,1-2H3,(H,18,20)
InChIKeySJLHZWBEIZUCAZ-UHFFFAOYSA-N
XLogP2.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide 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-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide
CID 111437304
6-tert-butyl-3-methylquinazolin-4-one
CID 59391740
2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide
CID 175986864
(2S)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-3-ylpropanamide
CID 95980969
4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide
CID 171682595
4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide
CID 174524895
3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide
CID 75489933
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one
CID 134810856
N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide
CID 116847070
N-(4-oxo-3-propan-2-ylquinazolin-6-yl)furan-2-carboxamide
CID 71700947
(2S)-2-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)-2-thiophen-3-ylacetamide
CID 86270580

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide?
The IUPAC name of N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide (CID 155967432) is N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide?
The canonical SMILES for N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide is CC(C(=O)Nc1ccc2ncn(C)c(=O)c2c1)c1ccsc1.
What is the InChIKey of N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide?
The InChIKey is SJLHZWBEIZUCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10(11-5-6-22-8-11)15(20)18-12-3-4-14-13(7-12)16(21)19(2)9-17-14/h3-10H,1-2H3,(H,18,20).
What are the key properties of N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide?
N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide has a molecular weight of 313.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide is sourced from PubChem (CID 155967432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).