3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one

C14H14N2O — CID 155675024

IUPAC3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one
SMILESCN(C)C=CC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H14N2O/c1-16(2)9-7-14(17)12-5-6-13-11(10-12)4-3-8-15-13/h3-10H,1-2H3
InChIKeyDEZKCLTUECLUNG-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.49
Rot. Bonds3

About 3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one

3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one (PubChem CID 155675024) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one
PubChem CID155675024
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one
SMILESCN(C)C=CC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H14N2O/c1-16(2)9-7-14(17)12-5-6-13-11(10-12)4-3-8-15-13/h3-10H,1-2H3
InChIKeyDEZKCLTUECLUNG-UHFFFAOYSA-N
XLogP2.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(dimethylamino)-1-quinolin-6-ylprop-2-en-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

(E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid
CID 175310043
ethane;quinoline-6-carboxylic acid
CID 91364452
3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 7017237
(E)-3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 19807213
(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 19616589
(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
CID 13382828
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
6-[(E)-1-fluoroprop-1-enyl]quinoline
CID 173227059
(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone
CID 114329700
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
(E)-1-(4-methylsulfanylphenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353447
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one (CID 155675024) is 3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one is CN(C)C=CC(=O)c1ccc2ncccc2c1.
What is the InChIKey of 3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one?
The InChIKey is DEZKCLTUECLUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-16(2)9-7-14(17)12-5-6-13-11(10-12)4-3-8-15-13/h3-10H,1-2H3.
What are the key properties of 3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one?
3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one has a molecular weight of 226.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one is sourced from PubChem (CID 155675024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).