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

C21H17N3O2 — CID 3319654

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)no1
InChIInChI=1S/C21H17N3O2/c1-13-7-3-4-8-15(13)19-12-17(16-9-5-6-10-18(16)22-19)21(25)23-20-11-14(2)26-24-20/h3-12H,1-2H3,(H,23,24,25)
InChIKeyXASUPINESJILNY-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.76
Rot. Bonds3

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

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)quinoline-4-carboxamide (PubChem CID 3319654) 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-(2-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)quinoline-4-carboxamide
PubChem CID3319654
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)no1
InChIInChI=1S/C21H17N3O2/c1-13-7-3-4-8-15(13)19-12-17(16-9-5-6-10-18(16)22-19)21(25)23-20-11-14(2)26-24-20/h3-12H,1-2H3,(H,23,24,25)
InChIKeyXASUPINESJILNY-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)quinoline-4-carboxamide (CID 3319654) is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)quinoline-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)quinoline-4-carboxamide?
The InChIKey is XASUPINESJILNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-7-3-4-8-15(13)19-12-17(16-9-5-6-10-18(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-(2-methylphenyl)quinoline-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-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-(2-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3319654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).