3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one

C20H15N3O2S — CID 90762569

IUPAC3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one
SMILESCC(=O)c1ccc(-n2c(-c3scnc3C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H15N3O2S/c1-12-18(26-11-21-12)19-22-17-6-4-3-5-16(17)20(25)23(19)15-9-7-14(8-10-15)13(2)24/h3-11H,1-2H3
InChIKeyLWIANYVYIALBRA-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.02
Rot. Bonds3

About 3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one

3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one (PubChem CID 90762569) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one
PubChem CID90762569
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one
SMILESCC(=O)c1ccc(-n2c(-c3scnc3C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H15N3O2S/c1-12-18(26-11-21-12)19-22-17-6-4-3-5-16(17)20(25)23(19)15-9-7-14(8-10-15)13(2)24/h3-11H,1-2H3
InChIKeyLWIANYVYIALBRA-UHFFFAOYSA-N
XLogP4.02
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one
CID 91398896
N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide
CID 87663735
methyl N-[4-methyl-5-(4-oxo-3-phenylquinazolin-2-yl)-1,3-thiazol-2-yl]carbamate
CID 87662820
2,6-bis(4-acetylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 1097763
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylquinazolin-4-one
CID 127257164
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 46933135
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one
CID 17471641
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one?
The IUPAC name of 3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one (CID 90762569) is 3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one.
What is the SMILES notation for 3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one?
The canonical SMILES for 3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one is CC(=O)c1ccc(-n2c(-c3scnc3C)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one?
The InChIKey is LWIANYVYIALBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-12-18(26-11-21-12)19-22-17-6-4-3-5-16(17)20(25)23(19)15-9-7-14(8-10-15)13(2)24/h3-11H,1-2H3.
What are the key properties of 3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one?
3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one has a molecular weight of 361.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one is sourced from PubChem (CID 90762569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).