N-(1-phenylethyl)quinoline-8-carboxamide

C18H16N2O — CID 51180563

IUPACN-(1-phenylethyl)quinoline-8-carboxamide
SMILESCC(NC(=O)c1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C18H16N2O/c1-13(14-7-3-2-4-8-14)20-18(21)16-11-5-9-15-10-6-12-19-17(15)16/h2-13H,1H3,(H,20,21)
InChIKeyONCDGNHWVSBALG-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.73
Rot. Bonds3

About N-(1-phenylethyl)quinoline-8-carboxamide

N-(1-phenylethyl)quinoline-8-carboxamide (PubChem CID 51180563) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1-phenylethyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)quinoline-8-carboxamide
PubChem CID51180563
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-(1-phenylethyl)quinoline-8-carboxamide
SMILESCC(NC(=O)c1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C18H16N2O/c1-13(14-7-3-2-4-8-14)20-18(21)16-11-5-9-15-10-6-12-19-17(15)16/h2-13H,1H3,(H,20,21)
InChIKeyONCDGNHWVSBALG-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide
CID 134028939
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide
CID 136581170
2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 38885280
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
N-(4-bromobutan-2-yl)quinoline-8-carboxamide
CID 83178653
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
N-(1-phenylethyl)-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109280869
5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109105406
1-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7619432
1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea
CID 101117639

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)quinoline-8-carboxamide?
The IUPAC name of N-(1-phenylethyl)quinoline-8-carboxamide (CID 51180563) is N-(1-phenylethyl)quinoline-8-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)quinoline-8-carboxamide?
The canonical SMILES for N-(1-phenylethyl)quinoline-8-carboxamide is CC(NC(=O)c1cccc2cccnc12)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)quinoline-8-carboxamide?
The InChIKey is ONCDGNHWVSBALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13(14-7-3-2-4-8-14)20-18(21)16-11-5-9-15-10-6-12-19-17(15)16/h2-13H,1H3,(H,20,21).
What are the key properties of N-(1-phenylethyl)quinoline-8-carboxamide?
N-(1-phenylethyl)quinoline-8-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)quinoline-8-carboxamide is sourced from PubChem (CID 51180563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).