1-(2-phenylquinolin-4-yl)heptan-1-one

C22H23NO — CID 159379638

IUPAC1-(2-phenylquinolin-4-yl)heptan-1-one
SMILESCCCCCCC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H23NO/c1-2-3-4-8-15-22(24)19-16-21(17-11-6-5-7-12-17)23-20-14-10-9-13-18(19)20/h5-7,9-14,16H,2-4,8,15H2,1H3
InChIKeyLKSYHTGAGBFFMD-UHFFFAOYSA-N
MW317.43 g/mol
LogP6.05
Rot. Bonds7

About 1-(2-phenylquinolin-4-yl)heptan-1-one

1-(2-phenylquinolin-4-yl)heptan-1-one (PubChem CID 159379638) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(2-phenylquinolin-4-yl)heptan-1-one.

Molecular Properties

Compound Name1-(2-phenylquinolin-4-yl)heptan-1-one
PubChem CID159379638
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name1-(2-phenylquinolin-4-yl)heptan-1-one
SMILESCCCCCCC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H23NO/c1-2-3-4-8-15-22(24)19-16-21(17-11-6-5-7-12-17)23-20-14-10-9-13-18(19)20/h5-7,9-14,16H,2-4,8,15H2,1H3
InChIKeyLKSYHTGAGBFFMD-UHFFFAOYSA-N
XLogP6.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylquinolin-4-yl)heptan-1-one
CID 54325185
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
1-quinolin-4-yldecan-1-one
CID 105086389
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide
CID 54611938
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
CID 139141812
hexyl 2-(4-octoxycarbonylquinolin-2-yl)quinoline-4-carboxylate
CID 3428854
N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4091106
4-(dimethylamino)-1-[2-(3,4,5-trifluorophenyl)quinolin-4-yl]butan-1-one
CID 159340286
1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride
CID 159047253

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylquinolin-4-yl)heptan-1-one?
The IUPAC name of 1-(2-phenylquinolin-4-yl)heptan-1-one (CID 159379638) is 1-(2-phenylquinolin-4-yl)heptan-1-one.
What is the SMILES notation for 1-(2-phenylquinolin-4-yl)heptan-1-one?
The canonical SMILES for 1-(2-phenylquinolin-4-yl)heptan-1-one is CCCCCCC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 1-(2-phenylquinolin-4-yl)heptan-1-one?
The InChIKey is LKSYHTGAGBFFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-2-3-4-8-15-22(24)19-16-21(17-11-6-5-7-12-17)23-20-14-10-9-13-18(19)20/h5-7,9-14,16H,2-4,8,15H2,1H3.
What are the key properties of 1-(2-phenylquinolin-4-yl)heptan-1-one?
1-(2-phenylquinolin-4-yl)heptan-1-one has a molecular weight of 317.43 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylquinolin-4-yl)heptan-1-one is sourced from PubChem (CID 159379638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).