2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate

C23H20FN3O3 — CID 174461645

IUPAC2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate
SMILESCCOC=O.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2ncc(F)cc12
InChIInChI=1S/C20H14FN3O.C3H6O2/c21-14-11-17-18(25)12-19(23-15-7-3-1-4-8-15)24(20(17)22-13-14)16-9-5-2-6-10-16;1-2-5-3-4/h1-13,23H;3H,2H2,1H3
InChIKeyZHAVSBHYRVYSOA-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.45
Rot. Bonds5

About 2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate

2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate (PubChem CID 174461645) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate.

Molecular Properties

Compound Name2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate
PubChem CID174461645
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate
SMILESCCOC=O.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2ncc(F)cc12
InChIInChI=1S/C20H14FN3O.C3H6O2/c21-14-11-17-18(25)12-19(23-15-7-3-1-4-8-15)24(20(17)22-13-14)16-9-5-2-6-10-16;1-2-5-3-4/h1-13,23H;3H,2H2,1H3
InChIKeyZHAVSBHYRVYSOA-UHFFFAOYSA-N
XLogP4.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate?
The IUPAC name of 2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate (CID 174461645) is 2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate.
What is the SMILES notation for 2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate?
The canonical SMILES for 2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate is CCOC=O.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2ncc(F)cc12.
What is the InChIKey of 2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate?
The InChIKey is ZHAVSBHYRVYSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O.C3H6O2/c21-14-11-17-18(25)12-19(23-15-7-3-1-4-8-15)24(20(17)22-13-14)16-9-5-2-6-10-16;1-2-5-3-4/h1-13,23H;3H,2H2,1H3.
What are the key properties of 2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate?
2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate has a molecular weight of 405.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate is sourced from PubChem (CID 174461645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).