1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride

C21H20Cl2N2 — CID 3021926

IUPAC1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride
SMILESCN1CC=C(c2cc3ccccc3c(-c3ccccc3Cl)n2)CC1.Cl
InChIInChI=1S/C21H19ClN2.ClH/c1-24-12-10-15(11-13-24)20-14-16-6-2-3-7-17(16)21(23-20)18-8-4-5-9-19(18)22;/h2-10,14H,11-13H2,1H3;1H
InChIKeyXEYZECWMRGTQFA-UHFFFAOYSA-N
MW371.31 g/mol
LogP5.70
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride

1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride (PubChem CID 3021926) has the molecular formula C21H20Cl2N2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride
PubChem CID3021926
Molecular FormulaC21H20Cl2N2
Molecular Weight371.31 g/mol
Exact Mass370.10
IUPAC Name1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride
SMILESCN1CC=C(c2cc3ccccc3c(-c3ccccc3Cl)n2)CC1.Cl
InChIInChI=1S/C21H19ClN2.ClH/c1-24-12-10-15(11-13-24)20-14-16-6-2-3-7-17(16)21(23-20)18-8-4-5-9-19(18)22;/h2-10,14H,11-13H2,1H3;1H
InChIKeyXEYZECWMRGTQFA-UHFFFAOYSA-N
XLogP5.70
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.31
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride 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 1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride (CID 3021926) is 1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride is CN1CC=C(c2cc3ccccc3c(-c3ccccc3Cl)n2)CC1.Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride?
The InChIKey is XEYZECWMRGTQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2.ClH/c1-24-12-10-15(11-13-24)20-14-16-6-2-3-7-17(16)21(23-20)18-8-4-5-9-19(18)22;/h2-10,14H,11-13H2,1H3;1H.
What are the key properties of 1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride?
1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride has a molecular weight of 371.31 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline;hydrochloride is sourced from PubChem (CID 3021926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).