N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride

C16H11ClF2N2O — CID 162171577

IUPACN-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1c(F)cccc1F)c1nccc2ccccc12
InChIInChI=1S/C16H10F2N2O.ClH/c17-12-6-3-7-13(18)15(12)20-16(21)14-11-5-2-1-4-10(11)8-9-19-14;/h1-9H,(H,20,21);1H
InChIKeyZNWCCHPPGRKWOF-UHFFFAOYSA-N
MW320.73 g/mol
LogP4.19
Rot. Bonds2

About N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride

N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride (PubChem CID 162171577) has the molecular formula C16H11ClF2N2O and a molecular weight of 320.73 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride
PubChem CID162171577
Molecular FormulaC16H11ClF2N2O
Molecular Weight320.73 g/mol
Exact Mass320.05
IUPAC NameN-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1c(F)cccc1F)c1nccc2ccccc12
InChIInChI=1S/C16H10F2N2O.ClH/c17-12-6-3-7-13(18)15(12)20-16(21)14-11-5-2-1-4-10(11)8-9-19-14;/h1-9H,(H,20,21);1H
InChIKeyZNWCCHPPGRKWOF-UHFFFAOYSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide
CID 104820920
3-fluoro-N-naphthalen-1-ylpyridine-2-carboxamide
CID 110474866
N-cyanoisoquinoline-1-carboxamide
CID 79195408
N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
CID 52786806
N-(6-aminohexyl)isoquinoline-1-carboxamide
CID 107843824
N-tert-butylisoquinoline-1-carboxamide
CID 62046176
isoquinoline-1-carboxamide;hydrochloride
CID 57458906
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]isoquinoline-1-carboxamide
CID 122354329
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202
N-(1H-1,2,4-triazol-5-yl)isoquinoline-1-carboxamide
CID 62318170
N-(6-bromohexyl)isoquinoline-1-carboxamide
CID 107847868
N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]isoquinoline-1-carboxamide
CID 94824692

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride?
The IUPAC name of N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride (CID 162171577) is N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride is Cl.O=C(Nc1c(F)cccc1F)c1nccc2ccccc12.
What is the InChIKey of N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride?
The InChIKey is ZNWCCHPPGRKWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O.ClH/c17-12-6-3-7-13(18)15(12)20-16(21)14-11-5-2-1-4-10(11)8-9-19-14;/h1-9H,(H,20,21);1H.
What are the key properties of N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride?
N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride has a molecular weight of 320.73 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride is sourced from PubChem (CID 162171577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).