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

C22H19N3O2 — CID 1222691

IUPAC2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)no1
InChIInChI=1S/C22H19N3O2/c1-13-8-9-16(10-14(13)2)20-12-18(17-6-4-5-7-19(17)23-20)22(26)24-21-11-15(3)27-25-21/h4-12H,1-3H3,(H,24,25,26)
InChIKeyVCYPMQDWWGCEPE-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.07
Rot. Bonds3

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

2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (PubChem CID 1222691) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
PubChem CID1222691
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)no1
InChIInChI=1S/C22H19N3O2/c1-13-8-9-16(10-14(13)2)20-12-18(17-6-4-5-7-19(17)23-20)22(26)24-21-11-15(3)27-25-21/h4-12H,1-3H3,(H,24,25,26)
InChIKeyVCYPMQDWWGCEPE-UHFFFAOYSA-N
XLogP5.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-Methyl-isoxazol-3-yl)-2-(3,7,8-trimethyl-quinolin-2-ylsulfanyl)-acetamide
CID 857565
N-(5-methyl-3-isoxazolyl)-2-(4-methylphenyl)-4-quinolinecarboxamide
CID 897342
N-3-isoxazolyl-2-phenyl-4-quinolinecarboxamide
CID 899144
7,8-dimethyl-N-(5-methyl-3-isoxazolyl)-2-(3-pyridinyl)-4-quinolinecarboxamide
CID 1261272
N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 2059829
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 2092924
2-(2-chlorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 2220861
2-(3-Ethyl-5,8-dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3208188
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-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)-4-quinolinecarboxamide
CID 1011349
2-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1222333

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (CID 1222691) is 2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)no1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The InChIKey is VCYPMQDWWGCEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-13-8-9-16(10-14(13)2)20-12-18(17-6-4-5-7-19(17)23-20)22(26)24-21-11-15(3)27-25-21/h4-12H,1-3H3,(H,24,25,26).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1222691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).