7-chloro-1,2,3,4-tetrahydroisoquinoline

C9H10ClN — CID 12595069

IUPAC7-chloro-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc2c(c1)CNCC2
InChIInChI=1S/C9H10ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
InChIKeyBLRKQLICTKRDDZ-UHFFFAOYSA-N
MW167.64 g/mol
LogP1.99
Rot. Bonds

About 7-chloro-1,2,3,4-tetrahydroisoquinoline

7-chloro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 12595069) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 7-chloro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-chloro-1,2,3,4-tetrahydroisoquinoline
PubChem CID12595069
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name7-chloro-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc2c(c1)CNCC2
InChIInChI=1S/C9H10ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
InChIKeyBLRKQLICTKRDDZ-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-chloro-1,2,3,4-tetrahydroisoquinoline 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 7-chloro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-chloro-1,2,3,4-tetrahydroisoquinoline (CID 12595069) is 7-chloro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-chloro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-chloro-1,2,3,4-tetrahydroisoquinoline is Clc1ccc2c(c1)CNCC2.
What is the InChIKey of 7-chloro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BLRKQLICTKRDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2.
What are the key properties of 7-chloro-1,2,3,4-tetrahydroisoquinoline?
7-chloro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 167.64 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 12595069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).