N-(2,6-difluorophenyl)isoquinoline-3-carboxamide

C16H10F2N2O — CID 110865287

IUPACN-(2,6-difluorophenyl)isoquinoline-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cc2ccccc2cn1
InChIInChI=1S/C16H10F2N2O/c17-12-6-3-7-13(18)15(12)20-16(21)14-8-10-4-1-2-5-11(10)9-19-14/h1-9H,(H,20,21)
InChIKeyZIGFJBKACIEXPD-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.77
Rot. Bonds2

About N-(2,6-difluorophenyl)isoquinoline-3-carboxamide

N-(2,6-difluorophenyl)isoquinoline-3-carboxamide (PubChem CID 110865287) has the molecular formula C16H10F2N2O and a molecular weight of 284.27 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)isoquinoline-3-carboxamide
PubChem CID110865287
Molecular FormulaC16H10F2N2O
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC NameN-(2,6-difluorophenyl)isoquinoline-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cc2ccccc2cn1
InChIInChI=1S/C16H10F2N2O/c17-12-6-3-7-13(18)15(12)20-16(21)14-8-10-4-1-2-5-11(10)9-19-14/h1-9H,(H,20,21)
InChIKeyZIGFJBKACIEXPD-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
N-(3-methoxyphenyl)isoquinoline-3-carboxamide
CID 110859992
N-(2,6-difluorophenyl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109220720
5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414716
N-(2,6-difluorophenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200781
5-chloro-N-(2-chloro-6-fluorophenyl)pyrazine-2-carboxamide
CID 107372206
N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride
CID 162171577
5-(cyclopropylamino)-N-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 109180224
N-[3,3-bis(4-fluorophenyl)propyl]isoquinoline-3-carboxamide
CID 45121525
N-(2,6-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 55050646
isoquinoline-3-carboxylic acid;rhenium
CID 59015469
N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214096

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)isoquinoline-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)isoquinoline-3-carboxamide (CID 110865287) is N-(2,6-difluorophenyl)isoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)isoquinoline-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)isoquinoline-3-carboxamide is O=C(Nc1c(F)cccc1F)c1cc2ccccc2cn1.
What is the InChIKey of N-(2,6-difluorophenyl)isoquinoline-3-carboxamide?
The InChIKey is ZIGFJBKACIEXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O/c17-12-6-3-7-13(18)15(12)20-16(21)14-8-10-4-1-2-5-11(10)9-19-14/h1-9H,(H,20,21).
What are the key properties of N-(2,6-difluorophenyl)isoquinoline-3-carboxamide?
N-(2,6-difluorophenyl)isoquinoline-3-carboxamide has a molecular weight of 284.27 g/mol, XLogP of 3.77, 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-3-carboxamide is sourced from PubChem (CID 110865287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).