(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C15H13ClN2O — CID 81226103

IUPAC(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cnccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C15H13ClN2O/c16-13-7-8-17-10-12(13)15(19)18-9-3-5-11-4-1-2-6-14(11)18/h1-2,4,6-8,10H,3,5,9H2
InChIKeyVRMXGUUNCABJPA-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.33
Rot. Bonds1

About (4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 81226103) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is (4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID81226103
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cnccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C15H13ClN2O/c16-13-7-8-17-10-12(13)15(19)18-9-3-5-11-4-1-2-6-14(11)18/h1-2,4,6-8,10H,3,5,9H2
InChIKeyVRMXGUUNCABJPA-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-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

(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 66462242
3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone
CID 105068094
(4-chloro-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103872831
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66462390
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
(5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 117213473
(2-chloro-5-fluoro-3-pyridinyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 103893098
[2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 59294494
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55663997
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 81226103) is (4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1cnccc1Cl)N1CCCc2ccccc21.
What is the InChIKey of (4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is VRMXGUUNCABJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-13-7-8-17-10-12(13)15(19)18-9-3-5-11-4-1-2-6-14(11)18/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of (4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 272.74 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 81226103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).