3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one

C23H19Cl2N3O2 — CID 22124831

IUPAC3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one
SMILESCCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)cc1
InChIInChI=1S/C23H19Cl2N3O2/c1-3-30-16-9-7-15(8-10-16)27-21-12-20-14(13-26-21)11-17(23(29)28(20)2)22-18(24)5-4-6-19(22)25/h4-13H,3H2,1-2H3,(H,26,27)
InChIKeyKVZJZJLKHOFVMB-UHFFFAOYSA-N
MW440.33 g/mol
LogP6.05
Rot. Bonds5

About 3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one

3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one (PubChem CID 22124831) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one
PubChem CID22124831
Molecular FormulaC23H19Cl2N3O2
Molecular Weight440.33 g/mol
Exact Mass439.09
IUPAC Name3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one
SMILESCCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)cc1
InChIInChI=1S/C23H19Cl2N3O2/c1-3-30-16-9-7-15(8-10-16)27-21-12-20-14(13-26-21)11-17(23(29)28(20)2)22-18(24)5-4-6-19(22)25/h4-13H,3H2,1-2H3,(H,26,27)
InChIKeyKVZJZJLKHOFVMB-UHFFFAOYSA-N
XLogP6.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one (CID 22124831) is 3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one is CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)cc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one?
The InChIKey is KVZJZJLKHOFVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c1-3-30-16-9-7-15(8-10-16)27-21-12-20-14(13-26-21)11-17(23(29)28(20)2)22-18(24)5-4-6-19(22)25/h4-13H,3H2,1-2H3,(H,26,27).
What are the key properties of 3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one has a molecular weight of 440.33 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).