(4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

C15H13ClN2O — CID 114408574

IUPAC(4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cc(Cl)c2ccccc2n1)N1CC=CCC1
InChIInChI=1S/C15H13ClN2O/c16-12-10-14(15(19)18-8-4-1-5-9-18)17-13-7-3-2-6-11(12)13/h1-4,6-7,10H,5,8-9H2
InChIKeyGAUJQVAKPZATTF-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.29
Rot. Bonds1

About (4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

(4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114408574) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is (4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114408574
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name(4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cc(Cl)c2ccccc2n1)N1CC=CCC1
InChIInChI=1S/C15H13ClN2O/c16-12-10-14(15(19)18-8-4-1-5-9-18)17-13-7-3-2-6-11(12)13/h1-4,6-7,10H,5,8-9H2
InChIKeyGAUJQVAKPZATTF-UHFFFAOYSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone 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

(4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone
CID 167993187
(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 63376375
(4-chloroquinolin-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096876
(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957022
(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 99036740
(4-chloroquinolin-2-yl)-(2-ethylmorpholin-4-yl)methanone
CID 63375773
cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 141178404
3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone
CID 141178399
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 155959797
(6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408589
4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
CID 83017398

Frequently Asked Questions

What is the IUPAC name of (4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114408574) is (4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1cc(Cl)c2ccccc2n1)N1CC=CCC1.
What is the InChIKey of (4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is GAUJQVAKPZATTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-12-10-14(15(19)18-8-4-1-5-9-18)17-13-7-3-2-6-11(12)13/h1-4,6-7,10H,5,8-9H2.
What are the key properties of (4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 272.74 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114408574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).