2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide

C21H16ClN3O2 — CID 2220861

IUPAC2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3Cl)cc(C(=O)Nc3cc(C)on3)c2c1
InChIInChI=1S/C21H16ClN3O2/c1-12-7-8-18-15(9-12)16(21(26)24-20-10-13(2)27-25-20)11-19(23-18)14-5-3-4-6-17(14)22/h3-11H,1-2H3,(H,24,25,26)
InChIKeyLBUMKMIVJDQDNB-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.41
Rot. Bonds3

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

2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (PubChem CID 2220861) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
PubChem CID2220861
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3Cl)cc(C(=O)Nc3cc(C)on3)c2c1
InChIInChI=1S/C21H16ClN3O2/c1-12-7-8-18-15(9-12)16(21(26)24-20-10-13(2)27-25-20)11-19(23-18)14-5-3-4-6-17(14)22/h3-11H,1-2H3,(H,24,25,26)
InChIKeyLBUMKMIVJDQDNB-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

N-(5-methyl-3-isoxazolyl)-2-(4-methylphenyl)-4-quinolinecarboxamide
CID 897342
N-3-isoxazolyl-2-phenyl-4-quinolinecarboxamide
CID 899144
2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1222691
8-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-yl)quinoline-4-carboxamide
CID 2220993
N-(5-methyl-3-isoxazolyl)-2-(2-methylphenyl)-4-quinolinecarboxamide
CID 3319654
N-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide
CID 664007
2-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1222333
8-methyl-N-(5-methyl-3-isoxazolyl)-2-(4-pyridinyl)-4-quinolinecarboxamide
CID 1261330
6,8-dimethyl-N-(5-methyl-3-isoxazolyl)-2-(2-pyridinyl)-4-quinolinecarboxamide
CID 1261395
N-(5-tert-butyl-3-isoxazolyl)-7-chloro-8-methyl-2-(2-pyridinyl)-4-quinolinecarboxamide
CID 2220460
2-(2-chlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]quinoline-4-carboxamide
CID 2402743
2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 4300130

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (CID 2220861) is 2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is Cc1ccc2nc(-c3ccccc3Cl)cc(C(=O)Nc3cc(C)on3)c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The InChIKey is LBUMKMIVJDQDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-12-7-8-18-15(9-12)16(21(26)24-20-10-13(2)27-25-20)11-19(23-18)14-5-3-4-6-17(14)22/h3-11H,1-2H3,(H,24,25,26).
What are the key properties of 2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-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 2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2220861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).