7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide

C16H10Cl2N2O — CID 70487205

IUPAC7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide
SMILESNC(=O)c1cc2ccc(Cl)cc2c(-c2ccccc2Cl)n1
InChIInChI=1S/C16H10Cl2N2O/c17-10-6-5-9-7-14(16(19)21)20-15(12(9)8-10)11-3-1-2-4-13(11)18/h1-8H,(H2,19,21)
InChIKeyNJECUTPVIICJOD-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.31
Rot. Bonds2

About 7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide

7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide (PubChem CID 70487205) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is 7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide
PubChem CID70487205
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide
SMILESNC(=O)c1cc2ccc(Cl)cc2c(-c2ccccc2Cl)n1
InChIInChI=1S/C16H10Cl2N2O/c17-10-6-5-9-7-14(16(19)21)20-15(12(9)8-10)11-3-1-2-4-13(11)18/h1-8H,(H2,19,21)
InChIKeyNJECUTPVIICJOD-UHFFFAOYSA-N
XLogP4.31
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide?
The IUPAC name of 7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide (CID 70487205) is 7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide?
The canonical SMILES for 7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide is NC(=O)c1cc2ccc(Cl)cc2c(-c2ccccc2Cl)n1.
What is the InChIKey of 7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide?
The InChIKey is NJECUTPVIICJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-10-6-5-9-7-14(16(19)21)20-15(12(9)8-10)11-3-1-2-4-13(11)18/h1-8H,(H2,19,21).
What are the key properties of 7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide?
7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide has a molecular weight of 317.18 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 70487205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).