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

C22H19N3O2 — CID 1222333

IUPAC2-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C22H19N3O2/c1-13-8-9-16(14(2)10-13)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)
InChIKeyKPQNLKSKKSNKGB-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.07
Rot. Bonds3

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

2-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (PubChem CID 1222333) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
PubChem CID1222333
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C22H19N3O2/c1-13-8-9-16(14(2)10-13)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)
InChIKeyKPQNLKSKKSNKGB-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (CID 1222333) is 2-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The InChIKey is KPQNLKSKKSNKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-13-8-9-16(14(2)10-13)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-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
2-(2,4-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-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1222333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).