4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one

C23H17Cl2FN2O — CID 146234973

IUPAC4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)cc(Cl)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C23H17Cl2FN2O/c1-13(2)14-7-4-6-10-20(14)28-21(29)12-17(24)16-11-18(25)22(27-23(16)28)15-8-3-5-9-19(15)26/h3-13H,1-2H3
InChIKeyNZBVYFOJKXWFKT-UHFFFAOYSA-N
MW427.31 g/mol
LogP6.62
Rot. Bonds3

About 4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one

4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one (PubChem CID 146234973) has the molecular formula C23H17Cl2FN2O and a molecular weight of 427.31 g/mol. Its IUPAC name is 4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one
PubChem CID146234973
Molecular FormulaC23H17Cl2FN2O
Molecular Weight427.31 g/mol
Exact Mass426.07
IUPAC Name4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)cc(Cl)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C23H17Cl2FN2O/c1-13(2)14-7-4-6-10-20(14)28-21(29)12-17(24)16-11-18(25)22(27-23(16)28)15-8-3-5-9-19(15)26/h3-13H,1-2H3
InChIKeyNZBVYFOJKXWFKT-UHFFFAOYSA-N
XLogP6.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.31
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one?
The IUPAC name of 4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one (CID 146234973) is 4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one is CC(C)c1ccccc1-n1c(=O)cc(Cl)c2cc(Cl)c(-c3ccccc3F)nc21.
What is the InChIKey of 4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one?
The InChIKey is NZBVYFOJKXWFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2FN2O/c1-13(2)14-7-4-6-10-20(14)28-21(29)12-17(24)16-11-18(25)22(27-23(16)28)15-8-3-5-9-19(15)26/h3-13H,1-2H3.
What are the key properties of 4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one?
4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one has a molecular weight of 427.31 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 146234973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).