8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one

C18H12Cl3FN2O — CID 168824666

IUPAC8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one
SMILESC=CCc1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C18H12Cl3FN2O/c1-3-4-14-16-15(25)5-9(2)24(18(16)13(21)8-23-14)17-11(19)6-10(22)7-12(17)20/h3,5-8H,1,4H2,2H3
InChIKeyFUOSXYLXEBHRKD-UHFFFAOYSA-N
MW397.66 g/mol
LogP5.52
Rot. Bonds3

About 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one

8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one (PubChem CID 168824666) has the molecular formula C18H12Cl3FN2O and a molecular weight of 397.66 g/mol. Its IUPAC name is 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one
PubChem CID168824666
Molecular FormulaC18H12Cl3FN2O
Molecular Weight397.66 g/mol
Exact Mass396.00
IUPAC Name8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one
SMILESC=CCc1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C18H12Cl3FN2O/c1-3-4-14-16-15(25)5-9(2)24(18(16)13(21)8-23-14)17-11(19)6-10(22)7-12(17)20/h3,5-8H,1,4H2,2H3
InChIKeyFUOSXYLXEBHRKD-UHFFFAOYSA-N
XLogP5.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.66
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one?
The IUPAC name of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one (CID 168824666) is 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one?
The canonical SMILES for 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one is C=CCc1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one?
The InChIKey is FUOSXYLXEBHRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3FN2O/c1-3-4-14-16-15(25)5-9(2)24(18(16)13(21)8-23-14)17-11(19)6-10(22)7-12(17)20/h3,5-8H,1,4H2,2H3.
What are the key properties of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one?
8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one has a molecular weight of 397.66 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 168824666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).