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

C17H10Cl3FN2O — CID 168824670

IUPAC8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one
SMILESC=Cc1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C17H10Cl3FN2O/c1-3-13-15-14(24)4-8(2)23(17(15)12(20)7-22-13)16-10(18)5-9(21)6-11(16)19/h3-7H,1H2,2H3
InChIKeyUHIVVNQNYKCAFZ-UHFFFAOYSA-N
MW383.64 g/mol
LogP5.44
Rot. Bonds2

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

8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one (PubChem CID 168824670) has the molecular formula C17H10Cl3FN2O and a molecular weight of 383.64 g/mol. Its IUPAC name is 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one
PubChem CID168824670
Molecular FormulaC17H10Cl3FN2O
Molecular Weight383.64 g/mol
Exact Mass381.98
IUPAC Name8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one
SMILESC=Cc1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C17H10Cl3FN2O/c1-3-13-15-14(24)4-8(2)23(17(15)12(20)7-22-13)16-10(18)5-9(21)6-11(16)19/h3-7H,1H2,2H3
InChIKeyUHIVVNQNYKCAFZ-UHFFFAOYSA-N
XLogP5.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.64
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one?
The IUPAC name of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one (CID 168824670) is 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one?
The canonical SMILES for 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one is C=Cc1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one?
The InChIKey is UHIVVNQNYKCAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3FN2O/c1-3-13-15-14(24)4-8(2)23(17(15)12(20)7-22-13)16-10(18)5-9(21)6-11(16)19/h3-7H,1H2,2H3.
What are the key properties of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one?
8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one has a molecular weight of 383.64 g/mol, XLogP of 5.44, 2 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)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 168824670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).