4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one

C22H13FN4O — CID 56592122

IUPAC4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]cc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C22H13FN4O/c23-19-6-2-1-4-15(19)20-10-16(14-5-3-8-25-21(14)27-20)17-12-26-22(28)18-11-24-9-7-13(17)18/h1-12H,(H,26,28)
InChIKeyPXWCFDARLVIGRU-UHFFFAOYSA-N
MW368.37 g/mol
LogP4.34
Rot. Bonds2

About 4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one

4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one (PubChem CID 56592122) has the molecular formula C22H13FN4O and a molecular weight of 368.37 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one
PubChem CID56592122
Molecular FormulaC22H13FN4O
Molecular Weight368.37 g/mol
Exact Mass368.11
IUPAC Name4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]cc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C22H13FN4O/c23-19-6-2-1-4-15(19)20-10-16(14-5-3-8-25-21(14)27-20)17-12-26-22(28)18-11-24-9-7-13(17)18/h1-12H,(H,26,28)
InChIKeyPXWCFDARLVIGRU-UHFFFAOYSA-N
XLogP4.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one (CID 56592122) is 4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one is O=c1[nH]cc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one?
The InChIKey is PXWCFDARLVIGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN4O/c23-19-6-2-1-4-15(19)20-10-16(14-5-3-8-25-21(14)27-20)17-12-26-22(28)18-11-24-9-7-13(17)18/h1-12H,(H,26,28).
What are the key properties of 4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one?
4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one has a molecular weight of 368.37 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 56592122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).