2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one

C24H21F2N3O2 — CID 10112903

IUPAC2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(OC(C)C)n1)c(=O)cc(Nc1cccc(F)c1)n2-c1cccc(F)c1
InChIInChI=1S/C24H21F2N3O2/c1-14(2)31-24-23-20(10-15(3)27-24)29(19-9-5-7-17(26)12-19)22(13-21(23)30)28-18-8-4-6-16(25)11-18/h4-14,28H,1-3H3
InChIKeyXSUQLDSBCZNZBH-UHFFFAOYSA-N
MW421.45 g/mol
LogP5.50
Rot. Bonds5

About 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one

2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one (PubChem CID 10112903) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one
PubChem CID10112903
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(OC(C)C)n1)c(=O)cc(Nc1cccc(F)c1)n2-c1cccc(F)c1
InChIInChI=1S/C24H21F2N3O2/c1-14(2)31-24-23-20(10-15(3)27-24)29(19-9-5-7-17(26)12-19)22(13-21(23)30)28-18-8-4-6-16(25)11-18/h4-14,28H,1-3H3
InChIKeyXSUQLDSBCZNZBH-UHFFFAOYSA-N
XLogP5.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.45
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one?
The IUPAC name of 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one (CID 10112903) is 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one?
The canonical SMILES for 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one is Cc1cc2c(c(OC(C)C)n1)c(=O)cc(Nc1cccc(F)c1)n2-c1cccc(F)c1.
What is the InChIKey of 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one?
The InChIKey is XSUQLDSBCZNZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c1-14(2)31-24-23-20(10-15(3)27-24)29(19-9-5-7-17(26)12-19)22(13-21(23)30)28-18-8-4-6-16(25)11-18/h4-14,28H,1-3H3.
What are the key properties of 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one?
2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one has a molecular weight of 421.45 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one is sourced from PubChem (CID 10112903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).