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

C23H25Cl3N2O6 — CID 139433005

IUPAC8-chloro-1-(2,6-dichlorophenyl)-5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one
SMILESCc1cc(=O)c2c(OCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C23H25Cl3N2O6/c1-15-13-19(30)20-22(28(15)21-16(24)3-2-4-17(21)25)18(26)14-27-23(20)34-12-11-33-10-9-32-8-7-31-6-5-29/h2-4,13-14,29H,5-12H2,1H3
InChIKeyLBCVNBYMBREQQW-UHFFFAOYSA-N
MW531.82 g/mol
LogP4.08
Rot. Bonds13

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

8-chloro-1-(2,6-dichlorophenyl)-5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one (PubChem CID 139433005) has the molecular formula C23H25Cl3N2O6 and a molecular weight of 531.82 g/mol. Its IUPAC name is 8-chloro-1-(2,6-dichlorophenyl)-5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name8-chloro-1-(2,6-dichlorophenyl)-5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one
PubChem CID139433005
Molecular FormulaC23H25Cl3N2O6
Molecular Weight531.82 g/mol
Exact Mass530.08
IUPAC Name8-chloro-1-(2,6-dichlorophenyl)-5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one
SMILESCc1cc(=O)c2c(OCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C23H25Cl3N2O6/c1-15-13-19(30)20-22(28(15)21-16(24)3-2-4-17(21)25)18(26)14-27-23(20)34-12-11-33-10-9-32-8-7-31-6-5-29/h2-4,13-14,29H,5-12H2,1H3
InChIKeyLBCVNBYMBREQQW-UHFFFAOYSA-N
XLogP4.08
TPSA92.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-dichlorophenyl)-5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one?
The IUPAC name of 8-chloro-1-(2,6-dichlorophenyl)-5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one (CID 139433005) is 8-chloro-1-(2,6-dichlorophenyl)-5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 8-chloro-1-(2,6-dichlorophenyl)-5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one?
The canonical SMILES for 8-chloro-1-(2,6-dichlorophenyl)-5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one is Cc1cc(=O)c2c(OCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 8-chloro-1-(2,6-dichlorophenyl)-5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one?
The InChIKey is LBCVNBYMBREQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl3N2O6/c1-15-13-19(30)20-22(28(15)21-16(24)3-2-4-17(21)25)18(26)14-27-23(20)34-12-11-33-10-9-32-8-7-31-6-5-29/h2-4,13-14,29H,5-12H2,1H3.
What are the key properties of 8-chloro-1-(2,6-dichlorophenyl)-5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one?
8-chloro-1-(2,6-dichlorophenyl)-5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one has a molecular weight of 531.82 g/mol, XLogP of 4.08, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2,6-dichlorophenyl)-5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-methyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 139433005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).