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

C17H21NO — CID 54325185

IUPAC1-(2-methylquinolin-4-yl)heptan-1-one
SMILESCCCCCCC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C17H21NO/c1-3-4-5-6-11-17(19)15-12-13(2)18-16-10-8-7-9-14(15)16/h7-10,12H,3-6,11H2,1-2H3
InChIKeyWJHLLBJHLCLFHW-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.70
Rot. Bonds6

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

1-(2-methylquinolin-4-yl)heptan-1-one (PubChem CID 54325185) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2-methylquinolin-4-yl)heptan-1-one.

Molecular Properties

Compound Name1-(2-methylquinolin-4-yl)heptan-1-one
PubChem CID54325185
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(2-methylquinolin-4-yl)heptan-1-one
SMILESCCCCCCC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C17H21NO/c1-3-4-5-6-11-17(19)15-12-13(2)18-16-10-8-7-9-14(15)16/h7-10,12H,3-6,11H2,1-2H3
InChIKeyWJHLLBJHLCLFHW-UHFFFAOYSA-N
XLogP4.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methylquinolin-4-yl)heptan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenylquinolin-4-yl)heptan-1-one
CID 159379638
1-quinolin-4-yldecan-1-one
CID 105086389
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 105077594
1-naphthalen-1-yldodecan-1-one
CID 3424169
3-methyl-1-(2-methylquinolin-4-yl)but-3-en-1-one
CID 105112623
1-(4-aminoquinolin-2-yl)nonan-1-one
CID 116603523
1-(2-methylquinolin-4-yl)-3-(1,2-thiazol-5-yl)propan-1-one
CID 70383447
6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide
CID 54611938
2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone
CID 105078848
4-hexyl-2-methylquinoline
CID 12861362
2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 102319888

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-4-yl)heptan-1-one?
The IUPAC name of 1-(2-methylquinolin-4-yl)heptan-1-one (CID 54325185) is 1-(2-methylquinolin-4-yl)heptan-1-one.
What is the SMILES notation for 1-(2-methylquinolin-4-yl)heptan-1-one?
The canonical SMILES for 1-(2-methylquinolin-4-yl)heptan-1-one is CCCCCCC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of 1-(2-methylquinolin-4-yl)heptan-1-one?
The InChIKey is WJHLLBJHLCLFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-4-5-6-11-17(19)15-12-13(2)18-16-10-8-7-9-14(15)16/h7-10,12H,3-6,11H2,1-2H3.
What are the key properties of 1-(2-methylquinolin-4-yl)heptan-1-one?
1-(2-methylquinolin-4-yl)heptan-1-one has a molecular weight of 255.36 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-4-yl)heptan-1-one is sourced from PubChem (CID 54325185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).