7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline

C15H14ClN — CID 21276866

IUPAC7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESClc1ccc2c(c1)CN(c1ccccc1)CC2
InChIInChI=1S/C15H14ClN/c16-14-7-6-12-8-9-17(11-13(12)10-14)15-4-2-1-3-5-15/h1-7,10H,8-9,11H2
InChIKeyBHJZSVKMUDVORY-UHFFFAOYSA-N
MW243.74 g/mol
LogP3.90
Rot. Bonds1

About 7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline

7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 21276866) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is 7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID21276866
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESClc1ccc2c(c1)CN(c1ccccc1)CC2
InChIInChI=1S/C15H14ClN/c16-14-7-6-12-8-9-17(11-13(12)10-14)15-4-2-1-3-5-15/h1-7,10H,8-9,11H2
InChIKeyBHJZSVKMUDVORY-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline (CID 21276866) is 7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline is Clc1ccc2c(c1)CN(c1ccccc1)CC2.
What is the InChIKey of 7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is BHJZSVKMUDVORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN/c16-14-7-6-12-8-9-17(11-13(12)10-14)15-4-2-1-3-5-15/h1-7,10H,8-9,11H2.
What are the key properties of 7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline?
7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 243.74 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 21276866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).