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

C17H13Cl3N2O3 — CID 134453197

IUPAC8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridin-4-one
SMILESCc1cc(=O)c2c(OCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl3N2O3/c1-9-7-13(24)14-16(12(20)8-21-17(14)25-6-5-23)22(9)15-10(18)3-2-4-11(15)19/h2-4,7-8,23H,5-6H2,1H3
InChIKeyVJWMFGICJZJHAO-UHFFFAOYSA-N
MW399.66 g/mol
LogP4.03
Rot. Bonds4

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

8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridin-4-one (PubChem CID 134453197) has the molecular formula C17H13Cl3N2O3 and a molecular weight of 399.66 g/mol. Its IUPAC name is 8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridin-4-one
PubChem CID134453197
Molecular FormulaC17H13Cl3N2O3
Molecular Weight399.66 g/mol
Exact Mass398.00
IUPAC Name8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridin-4-one
SMILESCc1cc(=O)c2c(OCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl3N2O3/c1-9-7-13(24)14-16(12(20)8-21-17(14)25-6-5-23)22(9)15-10(18)3-2-4-11(15)19/h2-4,7-8,23H,5-6H2,1H3
InChIKeyVJWMFGICJZJHAO-UHFFFAOYSA-N
XLogP4.03
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.66
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridin-4-one?
The IUPAC name of 8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridin-4-one (CID 134453197) is 8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridin-4-one?
The canonical SMILES for 8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridin-4-one is Cc1cc(=O)c2c(OCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridin-4-one?
The InChIKey is VJWMFGICJZJHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O3/c1-9-7-13(24)14-16(12(20)8-21-17(14)25-6-5-23)22(9)15-10(18)3-2-4-11(15)19/h2-4,7-8,23H,5-6H2,1H3.
What are the key properties of 8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridin-4-one?
8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridin-4-one has a molecular weight of 399.66 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 134453197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).