4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one

C22H12F2N4O — CID 56592813

IUPAC4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]cc(-c2cc(-c3cc(F)ccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C22H12F2N4O/c23-12-3-4-19(24)16(8-12)20-9-15(14-2-1-6-26-21(14)28-20)17-11-27-22(29)18-10-25-7-5-13(17)18/h1-11H,(H,27,29)
InChIKeyKVAKFOJFNNFGIX-UHFFFAOYSA-N
MW386.36 g/mol
LogP4.48
Rot. Bonds2

About 4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one

4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one (PubChem CID 56592813) has the molecular formula C22H12F2N4O and a molecular weight of 386.36 g/mol. Its IUPAC name is 4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one
PubChem CID56592813
Molecular FormulaC22H12F2N4O
Molecular Weight386.36 g/mol
Exact Mass386.10
IUPAC Name4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]cc(-c2cc(-c3cc(F)ccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C22H12F2N4O/c23-12-3-4-19(24)16(8-12)20-9-15(14-2-1-6-26-21(14)28-20)17-11-27-22(29)18-10-25-7-5-13(17)18/h1-11H,(H,27,29)
InChIKeyKVAKFOJFNNFGIX-UHFFFAOYSA-N
XLogP4.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one (CID 56592813) is 4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one is O=c1[nH]cc(-c2cc(-c3cc(F)ccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one?
The InChIKey is KVAKFOJFNNFGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F2N4O/c23-12-3-4-19(24)16(8-12)20-9-15(14-2-1-6-26-21(14)28-20)17-11-27-22(29)18-10-25-7-5-13(17)18/h1-11H,(H,27,29).
What are the key properties of 4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one?
4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one has a molecular weight of 386.36 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 56592813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).