N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide

C17H14N2O2 — CID 24869631

IUPACN-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide
SMILESCc1ccccc1NC(=O)C1C=Nc2ccccc2C1=O
InChIInChI=1S/C17H14N2O2/c1-11-6-2-4-8-14(11)19-17(21)13-10-18-15-9-5-3-7-12(15)16(13)20/h2-10,13H,1H3,(H,19,21)
InChIKeyZYRHFELMMZQVHF-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.15
Rot. Bonds2

About N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide

N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide (PubChem CID 24869631) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide
PubChem CID24869631
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide
SMILESCc1ccccc1NC(=O)C1C=Nc2ccccc2C1=O
InChIInChI=1S/C17H14N2O2/c1-11-6-2-4-8-14(11)19-17(21)13-10-18-15-9-5-3-7-12(15)16(13)20/h2-10,13H,1H3,(H,19,21)
InChIKeyZYRHFELMMZQVHF-UHFFFAOYSA-N
XLogP3.15
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide (CID 24869631) is N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide is Cc1ccccc1NC(=O)C1C=Nc2ccccc2C1=O.
What is the InChIKey of N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide?
The InChIKey is ZYRHFELMMZQVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-6-2-4-8-14(11)19-17(21)13-10-18-15-9-5-3-7-12(15)16(13)20/h2-10,13H,1H3,(H,19,21).
What are the key properties of N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide?
N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide is sourced from PubChem (CID 24869631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).