6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one

C18H10F4N4O — CID 59436080

IUPAC6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESO=c1[nH]ccc2c(Nc3c(F)cccc3C(F)(F)F)nc3ccncc3c12
InChIInChI=1S/C18H10F4N4O/c19-12-3-1-2-11(18(20,21)22)15(12)26-16-9-4-7-24-17(27)14(9)10-8-23-6-5-13(10)25-16/h1-8H,(H,24,27)(H,25,26)
InChIKeyZKARUZSOFAZGMB-UHFFFAOYSA-N
MW374.30 g/mol
LogP4.37
Rot. Bonds2

About 6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one

6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (PubChem CID 59436080) has the molecular formula C18H10F4N4O and a molecular weight of 374.30 g/mol. Its IUPAC name is 6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
PubChem CID59436080
Molecular FormulaC18H10F4N4O
Molecular Weight374.30 g/mol
Exact Mass374.08
IUPAC Name6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESO=c1[nH]ccc2c(Nc3c(F)cccc3C(F)(F)F)nc3ccncc3c12
InChIInChI=1S/C18H10F4N4O/c19-12-3-1-2-11(18(20,21)22)15(12)26-16-9-4-7-24-17(27)14(9)10-8-23-6-5-13(10)25-16/h1-8H,(H,24,27)(H,25,26)
InChIKeyZKARUZSOFAZGMB-UHFFFAOYSA-N
XLogP4.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The IUPAC name of 6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (CID 59436080) is 6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.
What is the SMILES notation for 6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The canonical SMILES for 6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is O=c1[nH]ccc2c(Nc3c(F)cccc3C(F)(F)F)nc3ccncc3c12.
What is the InChIKey of 6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The InChIKey is ZKARUZSOFAZGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4N4O/c19-12-3-1-2-11(18(20,21)22)15(12)26-16-9-4-7-24-17(27)14(9)10-8-23-6-5-13(10)25-16/h1-8H,(H,24,27)(H,25,26).
What are the key properties of 6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one has a molecular weight of 374.30 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-6-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is sourced from PubChem (CID 59436080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).