8-(4-chlorophenyl)isoquinolin-5-amine

C15H11ClN2 — CID 82583230

IUPAC8-(4-chlorophenyl)isoquinolin-5-amine
SMILESNc1ccc(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C15H11ClN2/c16-11-3-1-10(2-4-11)12-5-6-15(17)13-7-8-18-9-14(12)13/h1-9H,17H2
InChIKeyWOLWDJRHYKWESD-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.14
Rot. Bonds1

About 8-(4-chlorophenyl)isoquinolin-5-amine

8-(4-chlorophenyl)isoquinolin-5-amine (PubChem CID 82583230) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 8-(4-chlorophenyl)isoquinolin-5-amine.

Molecular Properties

Compound Name8-(4-chlorophenyl)isoquinolin-5-amine
PubChem CID82583230
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name8-(4-chlorophenyl)isoquinolin-5-amine
SMILESNc1ccc(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C15H11ClN2/c16-11-3-1-10(2-4-11)12-5-6-15(17)13-7-8-18-9-14(12)13/h1-9H,17H2
InChIKeyWOLWDJRHYKWESD-UHFFFAOYSA-N
XLogP4.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)isoquinolin-5-amine?
The IUPAC name of 8-(4-chlorophenyl)isoquinolin-5-amine (CID 82583230) is 8-(4-chlorophenyl)isoquinolin-5-amine.
What is the SMILES notation for 8-(4-chlorophenyl)isoquinolin-5-amine?
The canonical SMILES for 8-(4-chlorophenyl)isoquinolin-5-amine is Nc1ccc(-c2ccc(Cl)cc2)c2cnccc12.
What is the InChIKey of 8-(4-chlorophenyl)isoquinolin-5-amine?
The InChIKey is WOLWDJRHYKWESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c16-11-3-1-10(2-4-11)12-5-6-15(17)13-7-8-18-9-14(12)13/h1-9H,17H2.
What are the key properties of 8-(4-chlorophenyl)isoquinolin-5-amine?
8-(4-chlorophenyl)isoquinolin-5-amine has a molecular weight of 254.72 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)isoquinolin-5-amine is sourced from PubChem (CID 82583230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).