2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C24H20F3N3O2 — CID 10138084

IUPAC2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C24H20F3N3O2/c1-15(2)32-21-13-18(24(25,26)27)22-19(31)14-20(28-16-9-5-3-6-10-16)30(23(22)29-21)17-11-7-4-8-12-17/h3-15,28H,1-2H3
InChIKeyLOBCBSQVZXSFIR-UHFFFAOYSA-N
MW439.44 g/mol
LogP5.94
Rot. Bonds5

About 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 10138084) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID10138084
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C24H20F3N3O2/c1-15(2)32-21-13-18(24(25,26)27)22-19(31)14-20(28-16-9-5-3-6-10-16)30(23(22)29-21)17-11-7-4-8-12-17/h3-15,28H,1-2H3
InChIKeyLOBCBSQVZXSFIR-UHFFFAOYSA-N
XLogP5.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-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 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 10138084) is 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is LOBCBSQVZXSFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c1-15(2)32-21-13-18(24(25,26)27)22-19(31)14-20(28-16-9-5-3-6-10-16)30(23(22)29-21)17-11-7-4-8-12-17/h3-15,28H,1-2H3.
What are the key properties of 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 439.44 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 10138084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).