N-(3-acetylphenyl)quinoline-3-carboxamide

C18H14N2O2 — CID 110694820

IUPACN-(3-acetylphenyl)quinoline-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc3ccccc3c2)c1
InChIInChI=1S/C18H14N2O2/c1-12(21)13-6-4-7-16(10-13)20-18(22)15-9-14-5-2-3-8-17(14)19-11-15/h2-11H,1H3,(H,20,22)
InChIKeyLHMLVWQWFQUPRE-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.69
Rot. Bonds3

About N-(3-acetylphenyl)quinoline-3-carboxamide

N-(3-acetylphenyl)quinoline-3-carboxamide (PubChem CID 110694820) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)quinoline-3-carboxamide
PubChem CID110694820
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC NameN-(3-acetylphenyl)quinoline-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc3ccccc3c2)c1
InChIInChI=1S/C18H14N2O2/c1-12(21)13-6-4-7-16(10-13)20-18(22)15-9-14-5-2-3-8-17(14)19-11-15/h2-11H,1H3,(H,20,22)
InChIKeyLHMLVWQWFQUPRE-UHFFFAOYSA-N
XLogP3.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
N-(4-hydroxyphenyl)quinoline-3-carboxamide
CID 110489513
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
N-(3-acetylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63859581
N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide
CID 175916603
N-quinoxalin-2-ylquinoline-3-carboxamide
CID 11522282
N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide
CID 110861072
N-(2-iodophenyl)quinoline-3-carboxamide
CID 139568501
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468819
3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide
CID 10451096

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)quinoline-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)quinoline-3-carboxamide (CID 110694820) is N-(3-acetylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)quinoline-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)quinoline-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cnc3ccccc3c2)c1.
What is the InChIKey of N-(3-acetylphenyl)quinoline-3-carboxamide?
The InChIKey is LHMLVWQWFQUPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-12(21)13-6-4-7-16(10-13)20-18(22)15-9-14-5-2-3-8-17(14)19-11-15/h2-11H,1H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)quinoline-3-carboxamide?
N-(3-acetylphenyl)quinoline-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 110694820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).