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

C33H24N4O3S — CID 87663735

IUPACN-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCC(=O)c1ccc(-n2c(-c3sc(NC(=O)c4ccc(C)cc4)nc3-c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C33H24N4O3S/c1-20-12-14-24(15-13-20)31(39)36-33-35-28(23-8-4-3-5-9-23)29(41-33)30-34-27-11-7-6-10-26(27)32(40)37(30)25-18-16-22(17-19-25)21(2)38/h3-19H,1-2H3,(H,35,36,39)
InChIKeyWBLTWEXAOBJJJL-UHFFFAOYSA-N
MW556.65 g/mol
LogP6.94
Rot. Bonds6

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

N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide (PubChem CID 87663735) has the molecular formula C33H24N4O3S and a molecular weight of 556.65 g/mol. Its IUPAC name is N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide
PubChem CID87663735
Molecular FormulaC33H24N4O3S
Molecular Weight556.65 g/mol
Exact Mass556.16
IUPAC NameN-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCC(=O)c1ccc(-n2c(-c3sc(NC(=O)c4ccc(C)cc4)nc3-c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C33H24N4O3S/c1-20-12-14-24(15-13-20)31(39)36-33-35-28(23-8-4-3-5-9-23)29(41-33)30-34-27-11-7-6-10-26(27)32(40)37(30)25-18-16-22(17-19-25)21(2)38/h3-19H,1-2H3,(H,35,36,39)
InChIKeyWBLTWEXAOBJJJL-UHFFFAOYSA-N
XLogP6.94
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.65
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 46933135
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-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 11842423
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]-3-(3-methylphenyl)quinazolin-4-one
CID 11842421
2-[2-(4-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]-3-(4-chlorophenyl)quinazolin-4-one
CID 46933420
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
2-[2-[1-(furan-2-yl)ethenylamino]-4-phenyl-1,3-thiazol-5-yl]-3-phenylquinazolin-4-one
CID 87663079
3-(4-acetylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)quinazolin-4-one
CID 90762569
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
methyl N-[5-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 87664192

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide (CID 87663735) is N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide is CC(=O)c1ccc(-n2c(-c3sc(NC(=O)c4ccc(C)cc4)nc3-c3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide?
The InChIKey is WBLTWEXAOBJJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4O3S/c1-20-12-14-24(15-13-20)31(39)36-33-35-28(23-8-4-3-5-9-23)29(41-33)30-34-27-11-7-6-10-26(27)32(40)37(30)25-18-16-22(17-19-25)21(2)38/h3-19H,1-2H3,(H,35,36,39).
What are the key properties of N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide?
N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide has a molecular weight of 556.65 g/mol, XLogP of 6.94, 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-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 87663735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).