6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline

C15H15ClN2 — CID 78860791

IUPAC6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESClc1ccc2c(c1)CCCN2Cc1ccccn1
InChIInChI=1S/C15H15ClN2/c16-13-6-7-15-12(10-13)4-3-9-18(15)11-14-5-1-2-8-17-14/h1-2,5-8,10H,3-4,9,11H2
InChIKeyTZNUHRRSZKXEBD-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.69
Rot. Bonds2

About 6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline

6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline (PubChem CID 78860791) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline
PubChem CID78860791
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESClc1ccc2c(c1)CCCN2Cc1ccccn1
InChIInChI=1S/C15H15ClN2/c16-13-6-7-15-12(10-13)4-3-9-18(15)11-14-5-1-2-8-17-14/h1-2,5-8,10H,3-4,9,11H2
InChIKeyTZNUHRRSZKXEBD-UHFFFAOYSA-N
XLogP3.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline (CID 78860791) is 6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline is Clc1ccc2c(c1)CCCN2Cc1ccccn1.
What is the InChIKey of 6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is TZNUHRRSZKXEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-13-6-7-15-12(10-13)4-3-9-18(15)11-14-5-1-2-8-17-14/h1-2,5-8,10H,3-4,9,11H2.
What are the key properties of 6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline?
6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 258.75 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 78860791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).