isoquinoline-1-carboxamide;hydrochloride

C10H9ClN2O — CID 57458906

IUPACisoquinoline-1-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nccc2ccccc12
InChIInChI=1S/C10H8N2O.ClH/c11-10(13)9-8-4-2-1-3-7(8)5-6-12-9;/h1-6H,(H2,11,13);1H
InChIKeyLXZOHXNIYCPUFQ-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.76
Rot. Bonds1

About isoquinoline-1-carboxamide;hydrochloride

isoquinoline-1-carboxamide;hydrochloride (PubChem CID 57458906) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is isoquinoline-1-carboxamide;hydrochloride.

Molecular Properties

Compound Nameisoquinoline-1-carboxamide;hydrochloride
PubChem CID57458906
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Nameisoquinoline-1-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nccc2ccccc12
InChIInChI=1S/C10H8N2O.ClH/c11-10(13)9-8-4-2-1-3-7(8)5-6-12-9;/h1-6H,(H2,11,13);1H
InChIKeyLXZOHXNIYCPUFQ-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

N-cyanoisoquinoline-1-carboxamide
CID 79195408
7-fluoroisoquinoline-1-carboxamide
CID 82573928
4-amino-3-(naphthalene-1-carbonyl)pyridine-2-carboxamide
CID 69265970
N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride
CID 162171577
propan-2-yl isoquinoline-1-carboxylate
CID 57319572
N-tert-butylisoquinoline-1-carboxamide
CID 62046176
(3,4-dihydroxypyrrolidin-1-yl)-isoquinolin-1-ylmethanone
CID 106671738
N-(6-aminohexyl)isoquinoline-1-carboxamide
CID 107843824
ethyl 4-isoquinolin-1-yl-4-oxobutanoate
CID 66324026
3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone
CID 141178399
ethyl 3-isoquinolin-1-yl-2-methyl-3-oxopropanoate
CID 70696436
N-[2-(aminomethyl)cyclohexyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119610583

Frequently Asked Questions

What is the IUPAC name of isoquinoline-1-carboxamide;hydrochloride?
The IUPAC name of isoquinoline-1-carboxamide;hydrochloride (CID 57458906) is isoquinoline-1-carboxamide;hydrochloride.
What is the SMILES notation for isoquinoline-1-carboxamide;hydrochloride?
The canonical SMILES for isoquinoline-1-carboxamide;hydrochloride is Cl.NC(=O)c1nccc2ccccc12.
What is the InChIKey of isoquinoline-1-carboxamide;hydrochloride?
The InChIKey is LXZOHXNIYCPUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O.ClH/c11-10(13)9-8-4-2-1-3-7(8)5-6-12-9;/h1-6H,(H2,11,13);1H.
What are the key properties of isoquinoline-1-carboxamide;hydrochloride?
isoquinoline-1-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-1-carboxamide;hydrochloride is sourced from PubChem (CID 57458906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).