8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one

C25H28Cl3FN2O7 — CID 153426058

IUPAC8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one
SMILESCc1cc(=O)c2c(OCCOCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C25H28Cl3FN2O7/c1-16-12-21(33)22-24(31(16)23-18(26)13-17(29)14-19(23)27)20(28)15-30-25(22)38-11-10-37-9-8-36-7-6-35-5-4-34-3-2-32/h12-15,32H,2-11H2,1H3
InChIKeyCHVSUZLQBVXEQI-UHFFFAOYSA-N
MW593.86 g/mol
LogP4.23
Rot. Bonds16

About 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one

8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one (PubChem CID 153426058) has the molecular formula C25H28Cl3FN2O7 and a molecular weight of 593.86 g/mol. Its IUPAC name is 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one
PubChem CID153426058
Molecular FormulaC25H28Cl3FN2O7
Molecular Weight593.86 g/mol
Exact Mass592.09
IUPAC Name8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one
SMILESCc1cc(=O)c2c(OCCOCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C25H28Cl3FN2O7/c1-16-12-21(33)22-24(31(16)23-18(26)13-17(29)14-19(23)27)20(28)15-30-25(22)38-11-10-37-9-8-36-7-6-35-5-4-34-3-2-32/h12-15,32H,2-11H2,1H3
InChIKeyCHVSUZLQBVXEQI-UHFFFAOYSA-N
XLogP4.23
TPSA101.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.86
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one?
The IUPAC name of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one (CID 153426058) is 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one?
The canonical SMILES for 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one is Cc1cc(=O)c2c(OCCOCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one?
The InChIKey is CHVSUZLQBVXEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl3FN2O7/c1-16-12-21(33)22-24(31(16)23-18(26)13-17(29)14-19(23)27)20(28)15-30-25(22)38-11-10-37-9-8-36-7-6-35-5-4-34-3-2-32/h12-15,32H,2-11H2,1H3.
What are the key properties of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one?
8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one has a molecular weight of 593.86 g/mol, XLogP of 4.23, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 153426058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).