5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one

C25H23F2N3O2 — CID 20791033

IUPAC5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one
SMILESCCOc1nc(C)cc2c1c(=O)cc(Nc1ccc(C)cc1F)n2-c1ccc(C)cc1F
InChIInChI=1S/C25H23F2N3O2/c1-5-32-25-24-21(12-16(4)28-25)30(20-9-7-15(3)11-18(20)27)23(13-22(24)31)29-19-8-6-14(2)10-17(19)26/h6-13,29H,5H2,1-4H3
InChIKeyCVRQADFLPVICLG-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.73
Rot. Bonds5

About 5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one

5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one (PubChem CID 20791033) has the molecular formula C25H23F2N3O2 and a molecular weight of 435.47 g/mol. Its IUPAC name is 5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one
PubChem CID20791033
Molecular FormulaC25H23F2N3O2
Molecular Weight435.47 g/mol
Exact Mass435.18
IUPAC Name5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one
SMILESCCOc1nc(C)cc2c1c(=O)cc(Nc1ccc(C)cc1F)n2-c1ccc(C)cc1F
InChIInChI=1S/C25H23F2N3O2/c1-5-32-25-24-21(12-16(4)28-25)30(20-9-7-15(3)11-18(20)27)23(13-22(24)31)29-19-8-6-14(2)10-17(19)26/h6-13,29H,5H2,1-4H3
InChIKeyCVRQADFLPVICLG-UHFFFAOYSA-N
XLogP5.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one?
The IUPAC name of 5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one (CID 20791033) is 5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one?
The canonical SMILES for 5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one is CCOc1nc(C)cc2c1c(=O)cc(Nc1ccc(C)cc1F)n2-c1ccc(C)cc1F.
What is the InChIKey of 5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one?
The InChIKey is CVRQADFLPVICLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O2/c1-5-32-25-24-21(12-16(4)28-25)30(20-9-7-15(3)11-18(20)27)23(13-22(24)31)29-19-8-6-14(2)10-17(19)26/h6-13,29H,5H2,1-4H3.
What are the key properties of 5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one?
5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one has a molecular weight of 435.47 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 20791033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).