5-(3-chlorophenyl)isoquinoline

C15H10ClN — CID 23602252

IUPAC5-(3-chlorophenyl)isoquinoline
SMILESClc1cccc(-c2cccc3cnccc23)c1
InChIInChI=1S/C15H10ClN/c16-13-5-1-3-11(9-13)14-6-2-4-12-10-17-8-7-15(12)14/h1-10H
InChIKeyNUQIWVBHQDVZQF-UHFFFAOYSA-N
MW239.71 g/mol
LogP4.56
Rot. Bonds1

About 5-(3-chlorophenyl)isoquinoline

5-(3-chlorophenyl)isoquinoline (PubChem CID 23602252) has the molecular formula C15H10ClN and a molecular weight of 239.71 g/mol. Its IUPAC name is 5-(3-chlorophenyl)isoquinoline.

Molecular Properties

Compound Name5-(3-chlorophenyl)isoquinoline
PubChem CID23602252
Molecular FormulaC15H10ClN
Molecular Weight239.71 g/mol
Exact Mass239.05
IUPAC Name5-(3-chlorophenyl)isoquinoline
SMILESClc1cccc(-c2cccc3cnccc23)c1
InChIInChI=1S/C15H10ClN/c16-13-5-1-3-11(9-13)14-6-2-4-12-10-17-8-7-15(12)14/h1-10H
InChIKeyNUQIWVBHQDVZQF-UHFFFAOYSA-N
XLogP4.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-5-isoquinolin-5-ylbenzoic acid
CID 107957193
3-isoquinolin-5-ylbenzaldehyde
CID 62812454
5-pyrimidin-5-ylisoquinoline
CID 141337488
2,5-dichloro-4-isoquinolin-5-ylphenol
CID 107663326
4-(3-chlorophenyl)pyridin-3-amine
CID 82396448
5-(5-bromo-3-pyridinyl)isoquinoline
CID 172649263
5-isoquinolin-5-ylpyridin-3-ol
CID 83130626
4-chloro-2-isoquinolin-5-ylbenzoic acid
CID 107989688
5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline
CID 144553782
5-(furan-3-yl)isoquinoline
CID 102045200
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline
CID 118582355
5-isoquinolin-5-yl-2-methoxyaniline
CID 62812119

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)isoquinoline?
The IUPAC name of 5-(3-chlorophenyl)isoquinoline (CID 23602252) is 5-(3-chlorophenyl)isoquinoline.
What is the SMILES notation for 5-(3-chlorophenyl)isoquinoline?
The canonical SMILES for 5-(3-chlorophenyl)isoquinoline is Clc1cccc(-c2cccc3cnccc23)c1.
What is the InChIKey of 5-(3-chlorophenyl)isoquinoline?
The InChIKey is NUQIWVBHQDVZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN/c16-13-5-1-3-11(9-13)14-6-2-4-12-10-17-8-7-15(12)14/h1-10H.
What are the key properties of 5-(3-chlorophenyl)isoquinoline?
5-(3-chlorophenyl)isoquinoline has a molecular weight of 239.71 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)isoquinoline is sourced from PubChem (CID 23602252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).