N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide

C32H21N3O2S — CID 4609567

IUPACN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
SMILESO=C(c1ccccc1)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)nc1-c1ccccc1
InChIInChI=1S/C32H21N3O2S/c36-29(23-16-8-3-9-17-23)30-28(22-14-6-2-7-15-22)34-32(38-30)35-31(37)25-20-27(21-12-4-1-5-13-21)33-26-19-11-10-18-24(25)26/h1-20H,(H,34,35,37)
InChIKeyTWLWQNAIIRRNQR-UHFFFAOYSA-N
MW511.61 g/mol
LogP7.51
Rot. Bonds6

About N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 4609567) has the molecular formula C32H21N3O2S and a molecular weight of 511.61 g/mol. Its IUPAC name is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
PubChem CID4609567
Molecular FormulaC32H21N3O2S
Molecular Weight511.61 g/mol
Exact Mass511.14
IUPAC NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
SMILESO=C(c1ccccc1)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)nc1-c1ccccc1
InChIInChI=1S/C32H21N3O2S/c36-29(23-16-8-3-9-17-23)30-28(22-14-6-2-7-15-22)34-32(38-30)35-31(37)25-20-27(21-12-4-1-5-13-21)33-26-19-11-10-18-24(25)26/h1-20H,(H,34,35,37)
InChIKeyTWLWQNAIIRRNQR-UHFFFAOYSA-N
XLogP7.51
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.61
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 5203607
ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 2359088
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3252476
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 5048055
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4072632
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 4181016
2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide
CID 17497675
2-(4-phenylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 3920428
2-phenyl-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)quinoline-4-carboxamide
CID 4524436
2-(2,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2164416

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide (CID 4609567) is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide is O=C(c1ccccc1)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)nc1-c1ccccc1.
What is the InChIKey of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is TWLWQNAIIRRNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O2S/c36-29(23-16-8-3-9-17-23)30-28(22-14-6-2-7-15-22)34-32(38-30)35-31(37)25-20-27(21-12-4-1-5-13-21)33-26-19-11-10-18-24(25)26/h1-20H,(H,34,35,37).
What are the key properties of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide?
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 511.61 g/mol, XLogP of 7.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4609567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).