1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

C17H18ClNO — CID 14198586

IUPAC1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1CCc2cc(Cl)c(O)cc2C1Cc1ccccc1
InChIInChI=1S/C17H18ClNO/c1-19-8-7-13-10-15(18)17(20)11-14(13)16(19)9-12-5-3-2-4-6-12/h2-6,10-11,16,20H,7-9H2,1H3
InChIKeyJHDHNKDQVCVUJN-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.82
Rot. Bonds2

About 1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 14198586) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID14198586
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1CCc2cc(Cl)c(O)cc2C1Cc1ccccc1
InChIInChI=1S/C17H18ClNO/c1-19-8-7-13-10-15(18)17(20)11-14(13)16(19)9-12-5-3-2-4-6-12/h2-6,10-11,16,20H,7-9H2,1H3
InChIKeyJHDHNKDQVCVUJN-UHFFFAOYSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol 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-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (CID 14198586) is 1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol is CN1CCc2cc(Cl)c(O)cc2C1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is JHDHNKDQVCVUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-19-8-7-13-10-15(18)17(20)11-14(13)16(19)9-12-5-3-2-4-6-12/h2-6,10-11,16,20H,7-9H2,1H3.
What are the key properties of 1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 287.79 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 14198586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).