2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one

C18H14ClN3OS — CID 18281605

IUPAC2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccccc2C(=O)NC1c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14ClN3OS/c1-22-15-5-3-2-4-13(15)17(23)21-16(22)14-10-24-18(20-14)11-6-8-12(19)9-7-11/h2-10,16H,1H3,(H,21,23)
InChIKeyIVOLFMSYRNYSHS-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.34
Rot. Bonds2

About 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one

2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one (PubChem CID 18281605) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one
PubChem CID18281605
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccccc2C(=O)NC1c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14ClN3OS/c1-22-15-5-3-2-4-13(15)17(23)21-16(22)14-10-24-18(20-14)11-6-8-12(19)9-7-11/h2-10,16H,1H3,(H,21,23)
InChIKeyIVOLFMSYRNYSHS-UHFFFAOYSA-N
XLogP4.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ncats-SM5637
CID 139373943
1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one
CID 71625302
Retro-2.1
CID 73671928
5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-methyl-N-[2-(methylamino)ethyl]-6-oxopyridine-3-carboxamide
CID 137547952
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperazine-1-carbonyl)pyridin-2-one
CID 137548042
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-6-(2-methylpropyl)-5-(piperazine-1-carbonyl)pyridin-2-one
CID 137548045
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-(piperazine-1-carbonyl)-6-propylpyridin-2-one
CID 137548115
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-(piperazine-1-carbonyl)-6-propan-2-ylpyridin-2-one
CID 137548287
N-(2-aminoethyl)-5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-methyl-6-oxopyridine-3-carboxamide
CID 137548379
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-6-methyl-5-(piperazine-1-carbonyl)pyridin-2-one
CID 137548382
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-6-(2-methylprop-1-enyl)-1-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one
CID 137548387
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-5-(2-methylpiperazine-1-carbonyl)-6-(2-methylprop-1-enyl)pyridin-2-one
CID 137548522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one (CID 18281605) is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one is CN1c2ccccc2C(=O)NC1c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one?
The InChIKey is IVOLFMSYRNYSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c1-22-15-5-3-2-4-13(15)17(23)21-16(22)14-10-24-18(20-14)11-6-8-12(19)9-7-11/h2-10,16H,1H3,(H,21,23).
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one?
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one has a molecular weight of 355.85 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 18281605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).