4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride

C16H12Cl2N2O — CID 66730472

IUPAC4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc2cncc(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H11ClN2O.ClH/c17-13-5-3-10(4-6-13)15-9-19-8-12-2-1-11(16(18)20)7-14(12)15;/h1-9H,(H2,18,20);1H
InChIKeyOOKJXLJBNWFDLZ-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.08
Rot. Bonds2

About 4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride

4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride (PubChem CID 66730472) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride
PubChem CID66730472
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc2cncc(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H11ClN2O.ClH/c17-13-5-3-10(4-6-13)15-9-19-8-12-2-1-11(16(18)20)7-14(12)15;/h1-9H,(H2,18,20);1H
InChIKeyOOKJXLJBNWFDLZ-UHFFFAOYSA-N
XLogP4.08
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-N-propan-2-ylisoquinoline-6-carboxamide
CID 86282530
4-(4-chlorophenyl)-N-(cyclopropylmethyl)isoquinoline-6-carboxamide
CID 86282803
4-(2,4-difluorophenyl)isoquinoline-6-carboxamide
CID 46940974
4-[4-[4-(methylamino)-3-oxobut-1-enyl]phenyl]isoquinoline-6-carboxamide
CID 77399959
N-(4-chlorophenyl)-4-isoquinolin-4-ylbenzamide
CID 69116670
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]isoquinoline-6-carboxamide
CID 58495730
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
8-(4-chlorophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553229
4-pyrrolidin-1-ylisoquinoline-6-carboxamide
CID 58495819
2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide
CID 67331843
4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid
CID 70192137

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride (CID 66730472) is 4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride is Cl.NC(=O)c1ccc2cncc(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride?
The InChIKey is OOKJXLJBNWFDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O.ClH/c17-13-5-3-10(4-6-13)15-9-19-8-12-2-1-11(16(18)20)7-14(12)15;/h1-9H,(H2,18,20);1H.
What are the key properties of 4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride?
4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride has a molecular weight of 319.19 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)isoquinoline-6-carboxamide;hydrochloride is sourced from PubChem (CID 66730472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).