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

C21H17N3O2 — CID 70789497

IUPAC2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ncco3)c3ccccc3n2)cc1C
InChIInChI=1S/C21H17N3O2/c1-13-7-8-15(11-14(13)2)19-12-17(16-5-3-4-6-18(16)23-19)20(25)24-21-22-9-10-26-21/h3-12H,1-2H3,(H,22,24,25)
InChIKeyDSDYXIKXXPBHHD-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.76
Rot. Bonds3

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

2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)quinoline-4-carboxamide (PubChem CID 70789497) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)quinoline-4-carboxamide
PubChem CID70789497
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ncco3)c3ccccc3n2)cc1C
InChIInChI=1S/C21H17N3O2/c1-13-7-8-15(11-14(13)2)19-12-17(16-5-3-4-6-18(16)23-19)20(25)24-21-22-9-10-26-21/h3-12H,1-2H3,(H,22,24,25)
InChIKeyDSDYXIKXXPBHHD-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 2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)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 2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)quinoline-4-carboxamide (CID 70789497) is 2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ncco3)c3ccccc3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)quinoline-4-carboxamide?
The InChIKey is DSDYXIKXXPBHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-7-8-15(11-14(13)2)19-12-17(16-5-3-4-6-18(16)23-19)20(25)24-21-22-9-10-26-21/h3-12H,1-2H3,(H,22,24,25).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)quinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)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 2-(3,4-dimethylphenyl)-N-(1,3-oxazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 70789497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).