5-quinolin-3-yliminoheptan-3-one

C16H18N2O — CID 139343061

IUPAC5-quinolin-3-yliminoheptan-3-one
SMILESCCC(=O)C/C(CC)=N/c1cnc2ccccc2c1
InChIInChI=1S/C16H18N2O/c1-3-13(10-15(19)4-2)18-14-9-12-7-5-6-8-16(12)17-11-14/h5-9,11H,3-4,10H2,1-2H3/b18-13+
InChIKeyFBBVCYADZRBQOK-QGOAFFKASA-N
MW254.33 g/mol
LogP4.09
Rot. Bonds5

About 5-quinolin-3-yliminoheptan-3-one

5-quinolin-3-yliminoheptan-3-one (PubChem CID 139343061) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-quinolin-3-yliminoheptan-3-one.

Molecular Properties

Compound Name5-quinolin-3-yliminoheptan-3-one
PubChem CID139343061
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-quinolin-3-yliminoheptan-3-one
SMILESCCC(=O)C/C(CC)=N/c1cnc2ccccc2c1
InChIInChI=1S/C16H18N2O/c1-3-13(10-15(19)4-2)18-14-9-12-7-5-6-8-16(12)17-11-14/h5-9,11H,3-4,10H2,1-2H3/b18-13+
InChIKeyFBBVCYADZRBQOK-QGOAFFKASA-N
XLogP4.09
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-quinolin-3-yliminoheptan-3-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

2-quinolin-3-ylguanidine
CID 59852075
(3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid
CID 170871584
1-(4-quinolin-3-ylphenyl)propan-1-one
CID 23005158
ethyl 3-oxo-3-quinolin-3-ylpropanoate
CID 22925293
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
2-amino-2-methyl-1-quinolin-3-ylpentan-1-one
CID 116556948
quinoline-3-carboxylate
CID 4608508
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
1-quinolin-3-yloctan-1-one
CID 114963108
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
bis(2-methyl-4-oxo-1-quinolin-3-ylhexan-2-yl) carbonate
CID 90864145
butyl quinoline-3-carboxylate
CID 54753708

Frequently Asked Questions

What is the IUPAC name of 5-quinolin-3-yliminoheptan-3-one?
The IUPAC name of 5-quinolin-3-yliminoheptan-3-one (CID 139343061) is 5-quinolin-3-yliminoheptan-3-one.
What is the SMILES notation for 5-quinolin-3-yliminoheptan-3-one?
The canonical SMILES for 5-quinolin-3-yliminoheptan-3-one is CCC(=O)C/C(CC)=N/c1cnc2ccccc2c1.
What is the InChIKey of 5-quinolin-3-yliminoheptan-3-one?
The InChIKey is FBBVCYADZRBQOK-QGOAFFKASA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-13(10-15(19)4-2)18-14-9-12-7-5-6-8-16(12)17-11-14/h5-9,11H,3-4,10H2,1-2H3/b18-13+.
What are the key properties of 5-quinolin-3-yliminoheptan-3-one?
5-quinolin-3-yliminoheptan-3-one has a molecular weight of 254.33 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinolin-3-yliminoheptan-3-one is sourced from PubChem (CID 139343061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).