3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one

C29H19ClN4O2S — CID 87663047

IUPAC3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one
SMILESC=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2Cl)s1)c1ccco1
InChIInChI=1S/C29H19ClN4O2S/c1-18(24-16-9-17-36-24)31-29-33-25(19-10-3-2-4-11-19)26(37-29)27-32-22-14-7-5-12-20(22)28(35)34(27)23-15-8-6-13-21(23)30/h2-17H,1H2,(H,31,33)
InChIKeyWVFMDOUWRKRLEX-UHFFFAOYSA-N
MW523.02 g/mol
LogP7.51
Rot. Bonds6

About 3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one

3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one (PubChem CID 87663047) has the molecular formula C29H19ClN4O2S and a molecular weight of 523.02 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one
PubChem CID87663047
Molecular FormulaC29H19ClN4O2S
Molecular Weight523.02 g/mol
Exact Mass522.09
IUPAC Name3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one
SMILESC=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2Cl)s1)c1ccco1
InChIInChI=1S/C29H19ClN4O2S/c1-18(24-16-9-17-36-24)31-29-33-25(19-10-3-2-4-11-19)26(37-29)27-32-22-14-7-5-12-20(22)28(35)34(27)23-15-8-6-13-21(23)30/h2-17H,1H2,(H,31,33)
InChIKeyWVFMDOUWRKRLEX-UHFFFAOYSA-N
XLogP7.51
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.02
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one 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

2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one
CID 87663079
methyl N-[5-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 87664192
ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 11842422
2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one
CID 11842419
2-[2-(4-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]-3-(4-chlorophenyl)quinazolin-4-one
CID 46933420
2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]-3-(3-methylphenyl)quinazolin-4-one
CID 11842421
N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 46933135
N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide
CID 87663735
ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 11842423
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]furan-2-carboxamide
CID 170732422
2-(2-chlorophenyl)-3-(2-hydroxyphenyl)quinazolin-4-one
CID 716325
3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one
CID 134092940

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one?
The IUPAC name of 3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one (CID 87663047) is 3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one is C=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2Cl)s1)c1ccco1.
What is the InChIKey of 3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one?
The InChIKey is WVFMDOUWRKRLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19ClN4O2S/c1-18(24-16-9-17-36-24)31-29-33-25(19-10-3-2-4-11-19)26(37-29)27-32-22-14-7-5-12-20(22)28(35)34(27)23-15-8-6-13-21(23)30/h2-17H,1H2,(H,31,33).
What are the key properties of 3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one?
3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one has a molecular weight of 523.02 g/mol, XLogP of 7.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one is sourced from PubChem (CID 87663047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).