5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one

C23H19F2N3O2 — CID 143113402

IUPAC5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one
SMILESCCOc1nc(C)cc2c1c(=O)cc(Nc1ccc(F)cc1)n2-c1ccc(F)cc1
InChIInChI=1S/C23H19F2N3O2/c1-3-30-23-22-19(12-14(2)26-23)28(18-10-6-16(25)7-11-18)21(13-20(22)29)27-17-8-4-15(24)5-9-17/h4-13,27H,3H2,1-2H3
InChIKeyPQLXQKWNIAHAHR-UHFFFAOYSA-N
MW407.42 g/mol
LogP5.11
Rot. Bonds5

About 5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one

5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one (PubChem CID 143113402) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is 5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one
PubChem CID143113402
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one
SMILESCCOc1nc(C)cc2c1c(=O)cc(Nc1ccc(F)cc1)n2-c1ccc(F)cc1
InChIInChI=1S/C23H19F2N3O2/c1-3-30-23-22-19(12-14(2)26-23)28(18-10-6-16(25)7-11-18)21(13-20(22)29)27-17-8-4-15(24)5-9-17/h4-13,27H,3H2,1-2H3
InChIKeyPQLXQKWNIAHAHR-UHFFFAOYSA-N
XLogP5.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-Methoxyanilino)-2,6-dimethyl-3-pyridinyl]ethanone
CID 10400941
2-(3-Fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one
CID 10112903
2-Anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4(1h)-one
CID 10113164
2-Anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10138084
2-Anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one
CID 10159436
5-Ethoxy-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one
CID 10179554
2-Anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one
CID 10201429
2-Anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10202625
2-(4-Fluoroanilino)-1-(4-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one
CID 10223955
2-Anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 10294808
2-(4-Fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10299182
2-(3-Fluoroanilino)-1-(3-fluorophenyl)-7-(2-methoxyethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790381

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one?
The IUPAC name of 5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one (CID 143113402) is 5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one?
The canonical SMILES for 5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one is CCOc1nc(C)cc2c1c(=O)cc(Nc1ccc(F)cc1)n2-c1ccc(F)cc1.
What is the InChIKey of 5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one?
The InChIKey is PQLXQKWNIAHAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c1-3-30-23-22-19(12-14(2)26-23)28(18-10-6-16(25)7-11-18)21(13-20(22)29)27-17-8-4-15(24)5-9-17/h4-13,27H,3H2,1-2H3.
What are the key properties of 5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one?
5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one has a molecular weight of 407.42 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 143113402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).