3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one

C25H19FN2O2 — CID 18887708

IUPAC3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one
SMILESCc1ccccc1Nc1oc2c(c1-c1cccc(F)c1)c(=O)n(C)c1ccccc21
InChIInChI=1S/C25H19FN2O2/c1-15-8-3-5-12-19(15)27-24-21(16-9-7-10-17(26)14-16)22-23(30-24)18-11-4-6-13-20(18)28(2)25(22)29/h3-14,27H,1-2H3
InChIKeyDSHQENVIXHYSTK-UHFFFAOYSA-N
MW398.44 g/mol
LogP6.14
Rot. Bonds3

About 3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one

3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one (PubChem CID 18887708) has the molecular formula C25H19FN2O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one
PubChem CID18887708
Molecular FormulaC25H19FN2O2
Molecular Weight398.44 g/mol
Exact Mass398.14
IUPAC Name3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one
SMILESCc1ccccc1Nc1oc2c(c1-c1cccc(F)c1)c(=O)n(C)c1ccccc21
InChIInChI=1S/C25H19FN2O2/c1-15-8-3-5-12-19(15)27-24-21(16-9-7-10-17(26)14-16)22-23(30-24)18-11-4-6-13-20(18)28(2)25(22)29/h3-14,27H,1-2H3
InChIKeyDSHQENVIXHYSTK-UHFFFAOYSA-N
XLogP6.14
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one?
The IUPAC name of 3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one (CID 18887708) is 3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one?
The canonical SMILES for 3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one is Cc1ccccc1Nc1oc2c(c1-c1cccc(F)c1)c(=O)n(C)c1ccccc21.
What is the InChIKey of 3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one?
The InChIKey is DSHQENVIXHYSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O2/c1-15-8-3-5-12-19(15)27-24-21(16-9-7-10-17(26)14-16)22-23(30-24)18-11-4-6-13-20(18)28(2)25(22)29/h3-14,27H,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one?
3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one has a molecular weight of 398.44 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one is sourced from PubChem (CID 18887708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).