N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide

C31H22N4O3S — CID 46933135

IUPACN-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-n2c(-c3sc(NC(=O)c4ccccc4)nc3-c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C31H22N4O3S/c1-38-23-18-16-22(17-19-23)35-28(32-25-15-9-8-14-24(25)30(35)37)27-26(20-10-4-2-5-11-20)33-31(39-27)34-29(36)21-12-6-3-7-13-21/h2-19H,1H3,(H,33,34,36)
InChIKeyNSPLCYNFENUCGD-UHFFFAOYSA-N
MW530.61 g/mol
LogP6.44
Rot. Bonds6

About N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide

N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 46933135) has the molecular formula C31H22N4O3S and a molecular weight of 530.61 g/mol. Its IUPAC name is N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
PubChem CID46933135
Molecular FormulaC31H22N4O3S
Molecular Weight530.61 g/mol
Exact Mass530.14
IUPAC NameN-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-n2c(-c3sc(NC(=O)c4ccccc4)nc3-c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C31H22N4O3S/c1-38-23-18-16-22(17-19-23)35-28(32-25-15-9-8-14-24(25)30(35)37)27-26(20-10-4-2-5-11-20)33-31(39-27)34-29(36)21-12-6-3-7-13-21/h2-19H,1H3,(H,33,34,36)
InChIKeyNSPLCYNFENUCGD-UHFFFAOYSA-N
XLogP6.44
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.61
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide 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-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide
CID 87663735
methyl N-[5-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 87664192
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one
CID 91398896
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 11842423
methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate
CID 87662820
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39795631
ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 11842422
2-[2-(4-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]-3-(4-chlorophenyl)quinazolin-4-one
CID 46933420
2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one
CID 87663079
2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]-3-(3-methylphenyl)quinazolin-4-one
CID 11842421

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide (CID 46933135) is N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide is COc1ccc(-n2c(-c3sc(NC(=O)c4ccccc4)nc3-c3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is NSPLCYNFENUCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N4O3S/c1-38-23-18-16-22(17-19-23)35-28(32-25-15-9-8-14-24(25)30(35)37)27-26(20-10-4-2-5-11-20)33-31(39-27)34-29(36)21-12-6-3-7-13-21/h2-19H,1H3,(H,33,34,36).
What are the key properties of N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide?
N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 530.61 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46933135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).