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

C17H11Cl3N2O — CID 134453240

IUPAC8-chloro-1-(2,6-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one
SMILESC=Cc1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H11Cl3N2O/c1-3-13-15-14(23)7-9(2)22(17(15)12(20)8-21-13)16-10(18)5-4-6-11(16)19/h3-8H,1H2,2H3
InChIKeyRIYRFVUWRMDDLQ-UHFFFAOYSA-N
MW365.65 g/mol
LogP5.30
Rot. Bonds2

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

8-chloro-1-(2,6-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one (PubChem CID 134453240) has the molecular formula C17H11Cl3N2O and a molecular weight of 365.65 g/mol. Its IUPAC name is 8-chloro-1-(2,6-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name8-chloro-1-(2,6-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one
PubChem CID134453240
Molecular FormulaC17H11Cl3N2O
Molecular Weight365.65 g/mol
Exact Mass363.99
IUPAC Name8-chloro-1-(2,6-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one
SMILESC=Cc1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H11Cl3N2O/c1-3-13-15-14(23)7-9(2)22(17(15)12(20)8-21-13)16-10(18)5-4-6-11(16)19/h3-8H,1H2,2H3
InChIKeyRIYRFVUWRMDDLQ-UHFFFAOYSA-N
XLogP5.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 55.30
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-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one?
The IUPAC name of 8-chloro-1-(2,6-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one (CID 134453240) is 8-chloro-1-(2,6-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 8-chloro-1-(2,6-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one?
The canonical SMILES for 8-chloro-1-(2,6-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one is C=Cc1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cccc1Cl.
What is the InChIKey of 8-chloro-1-(2,6-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one?
The InChIKey is RIYRFVUWRMDDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O/c1-3-13-15-14(23)7-9(2)22(17(15)12(20)8-21-13)16-10(18)5-4-6-11(16)19/h3-8H,1H2,2H3.
What are the key properties of 8-chloro-1-(2,6-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one?
8-chloro-1-(2,6-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one has a molecular weight of 365.65 g/mol, XLogP of 5.30, 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-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 134453240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).