7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride

C15H13Cl2N — CID 71374370

IUPAC7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride
SMILESCl.Clc1ccc2c(c1)C(c1ccccc1)=NCC2
InChIInChI=1S/C15H12ClN.ClH/c16-13-7-6-11-8-9-17-15(14(11)10-13)12-4-2-1-3-5-12;/h1-7,10H,8-9H2;1H
InChIKeyAYMRNYITRVHDGM-UHFFFAOYSA-N
MW278.18 g/mol
LogP4.16
Rot. Bonds1

About 7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride

7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride (PubChem CID 71374370) has the molecular formula C15H13Cl2N and a molecular weight of 278.18 g/mol. Its IUPAC name is 7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride
PubChem CID71374370
Molecular FormulaC15H13Cl2N
Molecular Weight278.18 g/mol
Exact Mass277.04
IUPAC Name7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride
SMILESCl.Clc1ccc2c(c1)C(c1ccccc1)=NCC2
InChIInChI=1S/C15H12ClN.ClH/c16-13-7-6-11-8-9-17-15(14(11)10-13)12-4-2-1-3-5-12;/h1-7,10H,8-9H2;1H
InChIKeyAYMRNYITRVHDGM-UHFFFAOYSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride?
The IUPAC name of 7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride (CID 71374370) is 7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride.
What is the SMILES notation for 7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride?
The canonical SMILES for 7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride is Cl.Clc1ccc2c(c1)C(c1ccccc1)=NCC2.
What is the InChIKey of 7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride?
The InChIKey is AYMRNYITRVHDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN.ClH/c16-13-7-6-11-8-9-17-15(14(11)10-13)12-4-2-1-3-5-12;/h1-7,10H,8-9H2;1H.
What are the key properties of 7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride?
7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride has a molecular weight of 278.18 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride is sourced from PubChem (CID 71374370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).