8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one

C18H15Cl3N2O3 — CID 134453218

IUPAC8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one
SMILESO=c1cc(CO)n(-c2c(Cl)cccc2Cl)c2c(Cl)cnc(CCCO)c12
InChIInChI=1S/C18H15Cl3N2O3/c19-11-3-1-4-12(20)17(11)23-10(9-25)7-15(26)16-14(5-2-6-24)22-8-13(21)18(16)23/h1,3-4,7-8,24-25H,2,5-6,9H2
InChIKeyFWXGVUPQGGYNPO-UHFFFAOYSA-N
MW413.69 g/mol
LogP3.76
Rot. Bonds5

About 8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one

8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one (PubChem CID 134453218) has the molecular formula C18H15Cl3N2O3 and a molecular weight of 413.69 g/mol. Its IUPAC name is 8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one
PubChem CID134453218
Molecular FormulaC18H15Cl3N2O3
Molecular Weight413.69 g/mol
Exact Mass412.01
IUPAC Name8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one
SMILESO=c1cc(CO)n(-c2c(Cl)cccc2Cl)c2c(Cl)cnc(CCCO)c12
InChIInChI=1S/C18H15Cl3N2O3/c19-11-3-1-4-12(20)17(11)23-10(9-25)7-15(26)16-14(5-2-6-24)22-8-13(21)18(16)23/h1,3-4,7-8,24-25H,2,5-6,9H2
InChIKeyFWXGVUPQGGYNPO-UHFFFAOYSA-N
XLogP3.76
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.69
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one?
The IUPAC name of 8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one (CID 134453218) is 8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one.
What is the SMILES notation for 8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one?
The canonical SMILES for 8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one is O=c1cc(CO)n(-c2c(Cl)cccc2Cl)c2c(Cl)cnc(CCCO)c12.
What is the InChIKey of 8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one?
The InChIKey is FWXGVUPQGGYNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N2O3/c19-11-3-1-4-12(20)17(11)23-10(9-25)7-15(26)16-14(5-2-6-24)22-8-13(21)18(16)23/h1,3-4,7-8,24-25H,2,5-6,9H2.
What are the key properties of 8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one?
8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one has a molecular weight of 413.69 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one is sourced from PubChem (CID 134453218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).