1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol

C15H9Cl2NO — CID 167498206

IUPAC1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol
SMILESOc1ccc2c(-c3ccccc3Cl)cnc(Cl)c2c1
InChIInChI=1S/C15H9Cl2NO/c16-14-4-2-1-3-11(14)13-8-18-15(17)12-7-9(19)5-6-10(12)13/h1-8,19H
InChIKeySNYWUQNUIDXLDU-UHFFFAOYSA-N
MW290.15 g/mol
LogP4.91
Rot. Bonds1

About 1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol

1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol (PubChem CID 167498206) has the molecular formula C15H9Cl2NO and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol.

Molecular Properties

Compound Name1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol
PubChem CID167498206
Molecular FormulaC15H9Cl2NO
Molecular Weight290.15 g/mol
Exact Mass289.01
IUPAC Name1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol
SMILESOc1ccc2c(-c3ccccc3Cl)cnc(Cl)c2c1
InChIInChI=1S/C15H9Cl2NO/c16-14-4-2-1-3-11(14)13-8-18-15(17)12-7-9(19)5-6-10(12)13/h1-8,19H
InChIKeySNYWUQNUIDXLDU-UHFFFAOYSA-N
XLogP4.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol?
The IUPAC name of 1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol (CID 167498206) is 1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol.
What is the SMILES notation for 1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol?
The canonical SMILES for 1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol is Oc1ccc2c(-c3ccccc3Cl)cnc(Cl)c2c1.
What is the InChIKey of 1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol?
The InChIKey is SNYWUQNUIDXLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO/c16-14-4-2-1-3-11(14)13-8-18-15(17)12-7-9(19)5-6-10(12)13/h1-8,19H.
What are the key properties of 1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol?
1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol has a molecular weight of 290.15 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-chlorophenyl)isoquinolin-7-ol is sourced from PubChem (CID 167498206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).