2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide

C22H15F2N3O2 — CID 23987423

IUPAC2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12
InChIInChI=1S/C22H15F2N3O2/c23-14-8-9-20(19(24)11-14)27-13-18(16-6-1-2-7-17(16)22(27)29)21(28)26-12-15-5-3-4-10-25-15/h1-11,13H,12H2,(H,26,28)
InChIKeyWGDGPHXNCHMSPD-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.59
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide

2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide (PubChem CID 23987423) has the molecular formula C22H15F2N3O2 and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
PubChem CID23987423
Molecular FormulaC22H15F2N3O2
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12
InChIInChI=1S/C22H15F2N3O2/c23-14-8-9-20(19(24)11-14)27-13-18(16-6-1-2-7-17(16)22(27)29)21(28)26-12-15-5-3-4-10-25-15/h1-11,13H,12H2,(H,26,28)
InChIKeyWGDGPHXNCHMSPD-UHFFFAOYSA-N
XLogP3.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide (CID 23987423) is 2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide is O=C(NCc1ccccn1)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide?
The InChIKey is WGDGPHXNCHMSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O2/c23-14-8-9-20(19(24)11-14)27-13-18(16-6-1-2-7-17(16)22(27)29)21(28)26-12-15-5-3-4-10-25-15/h1-11,13H,12H2,(H,26,28).
What are the key properties of 2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide?
2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide has a molecular weight of 391.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 23987423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).