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

C18H16ClFN2O3 — CID 118222565

IUPAC7-chloro-1-ethyl-3-(2-fluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2cc(OC)cc(OC)c2F)cc2cnc(Cl)cc21
InChIInChI=1S/C18H16ClFN2O3/c1-4-22-14-8-16(19)21-9-10(14)5-13(18(22)23)12-6-11(24-2)7-15(25-3)17(12)20/h5-9H,4H2,1-3H3
InChIKeyNUBCRFGXYZWYIK-UHFFFAOYSA-N
MW362.79 g/mol
LogP3.89
Rot. Bonds4

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

7-chloro-1-ethyl-3-(2-fluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-one (PubChem CID 118222565) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is 7-chloro-1-ethyl-3-(2-fluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-1-ethyl-3-(2-fluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-one
PubChem CID118222565
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC Name7-chloro-1-ethyl-3-(2-fluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2cc(OC)cc(OC)c2F)cc2cnc(Cl)cc21
InChIInChI=1S/C18H16ClFN2O3/c1-4-22-14-8-16(19)21-9-10(14)5-13(18(22)23)12-6-11(24-2)7-15(25-3)17(12)20/h5-9H,4H2,1-3H3
InChIKeyNUBCRFGXYZWYIK-UHFFFAOYSA-N
XLogP3.89
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-1-ethyl-3-(2-fluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-one (CID 118222565) is 7-chloro-1-ethyl-3-(2-fluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-1-ethyl-3-(2-fluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-1-ethyl-3-(2-fluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2cc(OC)cc(OC)c2F)cc2cnc(Cl)cc21.
What is the InChIKey of 7-chloro-1-ethyl-3-(2-fluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-one?
The InChIKey is NUBCRFGXYZWYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c1-4-22-14-8-16(19)21-9-10(14)5-13(18(22)23)12-6-11(24-2)7-15(25-3)17(12)20/h5-9H,4H2,1-3H3.
What are the key properties of 7-chloro-1-ethyl-3-(2-fluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-one?
7-chloro-1-ethyl-3-(2-fluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-one has a molecular weight of 362.79 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-ethyl-3-(2-fluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 118222565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).