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

C18H15Cl2FN2O3 — CID 118222567

IUPAC7-chloro-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2c(F)c(OC)cc(OC)c2Cl)cc2cnc(Cl)cc21
InChIInChI=1S/C18H15Cl2FN2O3/c1-4-23-11-6-14(19)22-8-9(11)5-10(18(23)24)15-16(20)12(25-2)7-13(26-3)17(15)21/h5-8H,4H2,1-3H3
InChIKeyMIEMOYYAVWCXBF-UHFFFAOYSA-N
MW397.23 g/mol
LogP4.55
Rot. Bonds4

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

7-chloro-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one (PubChem CID 118222567) has the molecular formula C18H15Cl2FN2O3 and a molecular weight of 397.23 g/mol. Its IUPAC name is 7-chloro-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one
PubChem CID118222567
Molecular FormulaC18H15Cl2FN2O3
Molecular Weight397.23 g/mol
Exact Mass396.04
IUPAC Name7-chloro-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2c(F)c(OC)cc(OC)c2Cl)cc2cnc(Cl)cc21
InChIInChI=1S/C18H15Cl2FN2O3/c1-4-23-11-6-14(19)22-8-9(11)5-10(18(23)24)15-16(20)12(25-2)7-13(26-3)17(15)21/h5-8H,4H2,1-3H3
InChIKeyMIEMOYYAVWCXBF-UHFFFAOYSA-N
XLogP4.55
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 54.55
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-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one (CID 118222567) is 7-chloro-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2c(F)c(OC)cc(OC)c2Cl)cc2cnc(Cl)cc21.
What is the InChIKey of 7-chloro-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one?
The InChIKey is MIEMOYYAVWCXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O3/c1-4-23-11-6-14(19)22-8-9(11)5-10(18(23)24)15-16(20)12(25-2)7-13(26-3)17(15)21/h5-8H,4H2,1-3H3.
What are the key properties of 7-chloro-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one?
7-chloro-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one has a molecular weight of 397.23 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 118222567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).