2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one

C24H17ClN4OS — CID 42631932

IUPAC2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one
SMILESCc1nc(Nc2ccc(Cl)cc2)sc1-c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C24H17ClN4OS/c1-15-21(31-24(26-15)27-17-13-11-16(25)12-14-17)22-28-20-10-6-5-9-19(20)23(30)29(22)18-7-3-2-4-8-18/h2-14H,1H3,(H,26,27)
InChIKeyCFFWKVSXLOBZMB-UHFFFAOYSA-N
MW444.95 g/mol
LogP6.21
Rot. Bonds4

About 2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one

2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one (PubChem CID 42631932) has the molecular formula C24H17ClN4OS and a molecular weight of 444.95 g/mol. Its IUPAC name is 2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one
PubChem CID42631932
Molecular FormulaC24H17ClN4OS
Molecular Weight444.95 g/mol
Exact Mass444.08
IUPAC Name2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one
SMILESCc1nc(Nc2ccc(Cl)cc2)sc1-c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C24H17ClN4OS/c1-15-21(31-24(26-15)27-17-13-11-16(25)12-14-17)22-28-20-10-6-5-9-19(20)23(30)29(22)18-7-3-2-4-8-18/h2-14H,1H3,(H,26,27)
InChIKeyCFFWKVSXLOBZMB-UHFFFAOYSA-N
XLogP6.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.95
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-(3-methylphenyl)quinazolin-4-one
CID 11842417
2-[2-(4-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]-3-(4-chlorophenyl)quinazolin-4-one
CID 46933420
methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate
CID 87662820
2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one
CID 11842419
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
2-(4-chloroanilino)-3-(4-chlorophenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 11339207
2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]-3-(3-methylphenyl)quinazolin-4-one
CID 11842421
3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 66690616
3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one
CID 143457841
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 2384167
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one (CID 42631932) is 2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one is Cc1nc(Nc2ccc(Cl)cc2)sc1-c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one?
The InChIKey is CFFWKVSXLOBZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4OS/c1-15-21(31-24(26-15)27-17-13-11-16(25)12-14-17)22-28-20-10-6-5-9-19(20)23(30)29(22)18-7-3-2-4-8-18/h2-14H,1H3,(H,26,27).
What are the key properties of 2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one?
2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one has a molecular weight of 444.95 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 42631932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).