7-chloro-3,4-dihydroisoquinoline

C9H8ClN — CID 19748121

IUPAC7-chloro-3,4-dihydroisoquinoline
SMILESClc1ccc2c(c1)C=NCC2
InChIInChI=1S/C9H8ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5-6H,3-4H2
InChIKeyQVPMZULEYMEMKH-UHFFFAOYSA-N
MW165.62 g/mol
LogP2.32
Rot. Bonds

About 7-chloro-3,4-dihydroisoquinoline

7-chloro-3,4-dihydroisoquinoline (PubChem CID 19748121) has the molecular formula C9H8ClN and a molecular weight of 165.62 g/mol. Its IUPAC name is 7-chloro-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-chloro-3,4-dihydroisoquinoline
PubChem CID19748121
Molecular FormulaC9H8ClN
Molecular Weight165.62 g/mol
Exact Mass165.03
IUPAC Name7-chloro-3,4-dihydroisoquinoline
SMILESClc1ccc2c(c1)C=NCC2
InChIInChI=1S/C9H8ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5-6H,3-4H2
InChIKeyQVPMZULEYMEMKH-UHFFFAOYSA-N
XLogP2.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4-dihydroisoquinoline?
The IUPAC name of 7-chloro-3,4-dihydroisoquinoline (CID 19748121) is 7-chloro-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-chloro-3,4-dihydroisoquinoline?
The canonical SMILES for 7-chloro-3,4-dihydroisoquinoline is Clc1ccc2c(c1)C=NCC2.
What is the InChIKey of 7-chloro-3,4-dihydroisoquinoline?
The InChIKey is QVPMZULEYMEMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5-6H,3-4H2.
What are the key properties of 7-chloro-3,4-dihydroisoquinoline?
7-chloro-3,4-dihydroisoquinoline has a molecular weight of 165.62 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,4-dihydroisoquinoline is sourced from PubChem (CID 19748121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).