4-(2,4-difluorophenyl)isoquinoline-6-carboxamide

C16H10F2N2O — CID 46940974

IUPAC4-(2,4-difluorophenyl)isoquinoline-6-carboxamide
SMILESNC(=O)c1ccc2cncc(-c3ccc(F)cc3F)c2c1
InChIInChI=1S/C16H10F2N2O/c17-11-3-4-12(15(18)6-11)14-8-20-7-10-2-1-9(16(19)21)5-13(10)14/h1-8H,(H2,19,21)
InChIKeyIIIUFBMEKJMLOC-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.28
Rot. Bonds2

About 4-(2,4-difluorophenyl)isoquinoline-6-carboxamide

4-(2,4-difluorophenyl)isoquinoline-6-carboxamide (PubChem CID 46940974) has the molecular formula C16H10F2N2O and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)isoquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)isoquinoline-6-carboxamide
PubChem CID46940974
Molecular FormulaC16H10F2N2O
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name4-(2,4-difluorophenyl)isoquinoline-6-carboxamide
SMILESNC(=O)c1ccc2cncc(-c3ccc(F)cc3F)c2c1
InChIInChI=1S/C16H10F2N2O/c17-11-3-4-12(15(18)6-11)14-8-20-7-10-2-1-9(16(19)21)5-13(10)14/h1-8H,(H2,19,21)
InChIKeyIIIUFBMEKJMLOC-UHFFFAOYSA-N
XLogP3.28
TPSA55.98 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)isoquinoline-6-carboxamide?
The IUPAC name of 4-(2,4-difluorophenyl)isoquinoline-6-carboxamide (CID 46940974) is 4-(2,4-difluorophenyl)isoquinoline-6-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)isoquinoline-6-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenyl)isoquinoline-6-carboxamide is NC(=O)c1ccc2cncc(-c3ccc(F)cc3F)c2c1.
What is the InChIKey of 4-(2,4-difluorophenyl)isoquinoline-6-carboxamide?
The InChIKey is IIIUFBMEKJMLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O/c17-11-3-4-12(15(18)6-11)14-8-20-7-10-2-1-9(16(19)21)5-13(10)14/h1-8H,(H2,19,21).
What are the key properties of 4-(2,4-difluorophenyl)isoquinoline-6-carboxamide?
4-(2,4-difluorophenyl)isoquinoline-6-carboxamide has a molecular weight of 284.27 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)isoquinoline-6-carboxamide is sourced from PubChem (CID 46940974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).