N-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide

C18H14N2O3 — CID 2536119

IUPACN-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1
InChIInChI=1S/C18H14N2O3/c1-11(21)12-5-4-6-13(9-12)19-18(23)15-10-17(22)20-16-8-3-2-7-14(15)16/h2-10H,1H3,(H,19,23)(H,20,22)
InChIKeyOBTOEXBSRYLJKL-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.98
Rot. Bonds3

About N-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide

N-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 2536119) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID2536119
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1
InChIInChI=1S/C18H14N2O3/c1-11(21)12-5-4-6-13(9-12)19-18(23)15-10-17(22)20-16-8-3-2-7-14(15)16/h2-10H,1H3,(H,19,23)(H,20,22)
InChIKeyOBTOEXBSRYLJKL-UHFFFAOYSA-N
XLogP2.98
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide (CID 2536119) is N-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is OBTOEXBSRYLJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11(21)12-5-4-6-13(9-12)19-18(23)15-10-17(22)20-16-8-3-2-7-14(15)16/h2-10H,1H3,(H,19,23)(H,20,22).
What are the key properties of N-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 2536119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).