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

C20H14ClN3O2 — CID 4300130

IUPAC2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)no1
InChIInChI=1S/C20H14ClN3O2/c1-12-10-19(24-26-12)23-20(25)15-11-18(14-7-2-4-8-16(14)21)22-17-9-5-3-6-13(15)17/h2-11H,1H3,(H,23,24,25)
InChIKeyDFZAEKCDWHTONF-UHFFFAOYSA-N
MW363.80 g/mol
LogP5.10
Rot. Bonds3

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

2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (PubChem CID 4300130) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
PubChem CID4300130
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)no1
InChIInChI=1S/C20H14ClN3O2/c1-12-10-19(24-26-12)23-20(25)15-11-18(14-7-2-4-8-16(14)21)22-17-9-5-3-6-13(15)17/h2-11H,1H3,(H,23,24,25)
InChIKeyDFZAEKCDWHTONF-UHFFFAOYSA-N
XLogP5.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.80
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (CID 4300130) is 2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)no1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The InChIKey is DFZAEKCDWHTONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-12-10-19(24-26-12)23-20(25)15-11-18(14-7-2-4-8-16(14)21)22-17-9-5-3-6-13(15)17/h2-11H,1H3,(H,23,24,25).
What are the key properties of 2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4300130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).