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

C22H19N3O2 — CID 4095752

IUPAC2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N3O2/c1-3-15-8-10-16(11-9-15)20-13-18(17-6-4-5-7-19(17)23-20)22(26)24-21-12-14(2)27-25-21/h4-13H,3H2,1-2H3,(H,24,25,26)
InChIKeyYPVXHOSAAOBSKZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.01
Rot. Bonds4

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

2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (PubChem CID 4095752) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
PubChem CID4095752
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N3O2/c1-3-15-8-10-16(11-9-15)20-13-18(17-6-4-5-7-19(17)23-20)22(26)24-21-12-14(2)27-25-21/h4-13H,3H2,1-2H3,(H,24,25,26)
InChIKeyYPVXHOSAAOBSKZ-UHFFFAOYSA-N
XLogP5.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1358287
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 155910501
N-(5-methyl-1,2-oxazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2329897
N-(2,3-dimethylphenyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 5141329
2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 17285283
2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3558127
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3828512
2-(4-ethylphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2163462
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286
N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 1358755
2-(4-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide
CID 4216201

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (CID 4095752) is 2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The InChIKey is YPVXHOSAAOBSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-3-15-8-10-16(11-9-15)20-13-18(17-6-4-5-7-19(17)23-20)22(26)24-21-12-14(2)27-25-21/h4-13H,3H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4095752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).