isoquinoline-6-carboxamide;hydrochloride

C10H9ClN2O — CID 143697890

IUPACisoquinoline-6-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc2cnccc2c1
InChIInChI=1S/C10H8N2O.ClH/c11-10(13)8-1-2-9-6-12-4-3-7(9)5-8;/h1-6H,(H2,11,13);1H
InChIKeyFKZVASLIQQBMJY-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.76
Rot. Bonds1

About isoquinoline-6-carboxamide;hydrochloride

isoquinoline-6-carboxamide;hydrochloride (PubChem CID 143697890) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is isoquinoline-6-carboxamide;hydrochloride.

Molecular Properties

Compound Nameisoquinoline-6-carboxamide;hydrochloride
PubChem CID143697890
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Nameisoquinoline-6-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc2cnccc2c1
InChIInChI=1S/C10H8N2O.ClH/c11-10(13)8-1-2-9-6-12-4-3-7(9)5-8;/h1-6H,(H2,11,13);1H
InChIKeyFKZVASLIQQBMJY-UHFFFAOYSA-N
XLogP1.76
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

isoquinoline-7-carboxylic acid
CID 18468721
(Z)-3-isoquinolin-6-ylbut-2-enoic acid
CID 21092444
N-ethylisoquinoline-6-carboxamide
CID 110485080
methyl isoquinoline-6-carboxylate;sulfuric acid
CID 75485670
isoquinolin-6-yl(piperazin-1-yl)methanone
CID 110485113
2-fluoro-3-isoquinolin-7-ylbut-2-enamide
CID 54428699
2-isoquinolin-6-ylpropanamide
CID 66599621
N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
CID 110485085
tetracene-2-carboxamide;hydrobromide
CID 22400124
N-cycloheptylisoquinoline-6-carboxamide
CID 110485190
N-(3-hydroxypropyl)isoquinoline-6-carboxamide
CID 110485097
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186

Frequently Asked Questions

What is the IUPAC name of isoquinoline-6-carboxamide;hydrochloride?
The IUPAC name of isoquinoline-6-carboxamide;hydrochloride (CID 143697890) is isoquinoline-6-carboxamide;hydrochloride.
What is the SMILES notation for isoquinoline-6-carboxamide;hydrochloride?
The canonical SMILES for isoquinoline-6-carboxamide;hydrochloride is Cl.NC(=O)c1ccc2cnccc2c1.
What is the InChIKey of isoquinoline-6-carboxamide;hydrochloride?
The InChIKey is FKZVASLIQQBMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O.ClH/c11-10(13)8-1-2-9-6-12-4-3-7(9)5-8;/h1-6H,(H2,11,13);1H.
What are the key properties of isoquinoline-6-carboxamide;hydrochloride?
isoquinoline-6-carboxamide;hydrochloride has a molecular weight of 208.65 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline-6-carboxamide;hydrochloride is sourced from PubChem (CID 143697890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).