8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one

C20H10Cl2F2N2O — CID 67270546

IUPAC8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one
SMILESO=c1cc(-c2ccc(F)cc2F)c2ccnc(-c3c(Cl)cccc3Cl)c2[nH]1
InChIInChI=1S/C20H10Cl2F2N2O/c21-14-2-1-3-15(22)18(14)20-19-12(6-7-25-20)13(9-17(27)26-19)11-5-4-10(23)8-16(11)24/h1-9H,(H,26,27)
InChIKeyLIFCIOYQHUIHQF-UHFFFAOYSA-N
MW403.22 g/mol
LogP5.84
Rot. Bonds2

About 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one

8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one (PubChem CID 67270546) has the molecular formula C20H10Cl2F2N2O and a molecular weight of 403.22 g/mol. Its IUPAC name is 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one
PubChem CID67270546
Molecular FormulaC20H10Cl2F2N2O
Molecular Weight403.22 g/mol
Exact Mass402.01
IUPAC Name8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one
SMILESO=c1cc(-c2ccc(F)cc2F)c2ccnc(-c3c(Cl)cccc3Cl)c2[nH]1
InChIInChI=1S/C20H10Cl2F2N2O/c21-14-2-1-3-15(22)18(14)20-19-12(6-7-25-20)13(9-17(27)26-19)11-5-4-10(23)8-16(11)24/h1-9H,(H,26,27)
InChIKeyLIFCIOYQHUIHQF-UHFFFAOYSA-N
XLogP5.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.22
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one?
The IUPAC name of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one (CID 67270546) is 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one is O=c1cc(-c2ccc(F)cc2F)c2ccnc(-c3c(Cl)cccc3Cl)c2[nH]1.
What is the InChIKey of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one?
The InChIKey is LIFCIOYQHUIHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2F2N2O/c21-14-2-1-3-15(22)18(14)20-19-12(6-7-25-20)13(9-17(27)26-19)11-5-4-10(23)8-16(11)24/h1-9H,(H,26,27).
What are the key properties of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one?
8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one has a molecular weight of 403.22 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 67270546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).