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

C21H17N3O2 — CID 897342

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)cc1
InChIInChI=1S/C21H17N3O2/c1-13-7-9-15(10-8-13)19-12-17(16-5-3-4-6-18(16)22-19)21(25)23-20-11-14(2)26-24-20/h3-12H,1-2H3,(H,23,24,25)
InChIKeyKOVGSOPWQJPRNF-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.76
Rot. Bonds3

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

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 897342) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID897342
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)cc1
InChIInChI=1S/C21H17N3O2/c1-13-7-9-15(10-8-13)19-12-17(16-5-3-4-6-18(16)22-19)21(25)23-20-11-14(2)26-24-20/h3-12H,1-2H3,(H,23,24,25)
InChIKeyKOVGSOPWQJPRNF-UHFFFAOYSA-N
XLogP4.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,7-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176129
2-(2-methyl-1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
CID 4916611
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxamide
CID 166008551
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
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
N-(5-methyl-3-isoxazolyl)-2-(2-methylphenyl)-4-quinolinecarboxamide
CID 3319654
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate
CID 4014148
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
CID 1223907

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide (CID 897342) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is KOVGSOPWQJPRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-7-9-15(10-8-13)19-12-17(16-5-3-4-6-18(16)22-19)21(25)23-20-11-14(2)26-24-20/h3-12H,1-2H3,(H,23,24,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 897342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).