6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide

C21H16ClN3O2 — CID 24614620

IUPAC6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)no1
InChIInChI=1S/C21H16ClN3O2/c1-12-10-18(25-27-12)24-21(26)19-13(2)23-17-9-8-15(22)11-16(17)20(19)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,24,25,26)
InChIKeyKZNBCAIZCJFJIK-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.41
Rot. Bonds3

About 6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide

6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide (PubChem CID 24614620) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide
PubChem CID24614620
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)no1
InChIInChI=1S/C21H16ClN3O2/c1-12-10-18(25-27-12)24-21(26)19-13(2)23-17-9-8-15(22)11-16(17)20(19)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,24,25,26)
InChIKeyKZNBCAIZCJFJIK-UHFFFAOYSA-N
XLogP5.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 8966053
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 110865581
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylbenzamide
CID 110429071
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 16590137
N-(3,4-difluorophenyl)-2-methyl-4-phenylquinoline-3-carboxamide;hydrochloride
CID 42914787
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 17398337
1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 3385049
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1H-indole-3-carboxamide
CID 113206502
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 6278543

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide (CID 24614620) is 6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide is Cc1cc(NC(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)no1.
What is the InChIKey of 6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide?
The InChIKey is KZNBCAIZCJFJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-12-10-18(25-27-12)24-21(26)19-13(2)23-17-9-8-15(22)11-16(17)20(19)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,24,25,26).
What are the key properties of 6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide?
6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylquinoline-3-carboxamide is sourced from PubChem (CID 24614620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).