N-(4-acetylphenyl)-2-methylquinoline-4-carboxamide

C19H16N2O2 — CID 856040

IUPACN-(4-acetylphenyl)-2-methylquinoline-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H16N2O2/c1-12-11-17(16-5-3-4-6-18(16)20-12)19(23)21-15-9-7-14(8-10-15)13(2)22/h3-11H,1-2H3,(H,21,23)
InChIKeyDDVOUWCLSGNTSS-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.00
Rot. Bonds3

About N-(4-acetylphenyl)-2-methylquinoline-4-carboxamide

N-(4-acetylphenyl)-2-methylquinoline-4-carboxamide (PubChem CID 856040) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-methylquinoline-4-carboxamide
PubChem CID856040
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-(4-acetylphenyl)-2-methylquinoline-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H16N2O2/c1-12-11-17(16-5-3-4-6-18(16)20-12)19(23)21-15-9-7-14(8-10-15)13(2)22/h3-11H,1-2H3,(H,21,23)
InChIKeyDDVOUWCLSGNTSS-UHFFFAOYSA-N
XLogP4.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-methylquinoline-4-carboxamide (CID 856040) is N-(4-acetylphenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-methylquinoline-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is DDVOUWCLSGNTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-12-11-17(16-5-3-4-6-18(16)20-12)19(23)21-15-9-7-14(8-10-15)13(2)22/h3-11H,1-2H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-2-methylquinoline-4-carboxamide?
N-(4-acetylphenyl)-2-methylquinoline-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 856040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).