1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one

C19H12F3N3O — CID 141243236

IUPAC1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=c1[nH]c2nccc(Nc3ccccc3)c2c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)11-6-7-13-14(10-11)16-15(24-12-4-2-1-3-5-12)8-9-23-17(16)25-18(13)26/h1-10H,(H2,23,24,25,26)
InChIKeyAWDLLFMHEAHIGP-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.84
Rot. Bonds2

About 1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one

1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one (PubChem CID 141243236) has the molecular formula C19H12F3N3O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one
PubChem CID141243236
Molecular FormulaC19H12F3N3O
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=c1[nH]c2nccc(Nc3ccccc3)c2c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)11-6-7-13-14(10-11)16-15(24-12-4-2-1-3-5-12)8-9-23-17(16)25-18(13)26/h1-10H,(H2,23,24,25,26)
InChIKeyAWDLLFMHEAHIGP-UHFFFAOYSA-N
XLogP4.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-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 1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one?
The IUPAC name of 1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one (CID 141243236) is 1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one.
What is the SMILES notation for 1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one?
The canonical SMILES for 1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one is O=c1[nH]c2nccc(Nc3ccccc3)c2c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one?
The InChIKey is AWDLLFMHEAHIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O/c20-19(21,22)11-6-7-13-14(10-11)16-15(24-12-4-2-1-3-5-12)8-9-23-17(16)25-18(13)26/h1-10H,(H2,23,24,25,26).
What are the key properties of 1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one?
1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one has a molecular weight of 355.32 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one is sourced from PubChem (CID 141243236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).