7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one

C17H14ClFN2O2 — CID 118270925

IUPAC7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2cc(OC)ccc2F)cc2cnc(Cl)cc21
InChIInChI=1S/C17H14ClFN2O2/c1-3-21-15-8-16(18)20-9-10(15)6-13(17(21)22)12-7-11(23-2)4-5-14(12)19/h4-9H,3H2,1-2H3
InChIKeyAGLXKJMUXHTDEB-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.88
Rot. Bonds3

About 7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one

7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one (PubChem CID 118270925) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is 7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one
PubChem CID118270925
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2cc(OC)ccc2F)cc2cnc(Cl)cc21
InChIInChI=1S/C17H14ClFN2O2/c1-3-21-15-8-16(18)20-9-10(15)6-13(17(21)22)12-7-11(23-2)4-5-14(12)19/h4-9H,3H2,1-2H3
InChIKeyAGLXKJMUXHTDEB-UHFFFAOYSA-N
XLogP3.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one (CID 118270925) is 7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2cc(OC)ccc2F)cc2cnc(Cl)cc21.
What is the InChIKey of 7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one?
The InChIKey is AGLXKJMUXHTDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-3-21-15-8-16(18)20-9-10(15)6-13(17(21)22)12-7-11(23-2)4-5-14(12)19/h4-9H,3H2,1-2H3.
What are the key properties of 7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one?
7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one has a molecular weight of 332.76 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-ethyl-3-(2-fluoro-5-methoxyphenyl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 118270925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).