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

C18H9Cl2F3N4O2S — CID 59435967

IUPAC6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESO=c1[nH]ccc2c(Nc3c(Cl)cc(S(=O)C(F)(F)F)cc3Cl)nc3ccncc3c12
InChIInChI=1S/C18H9Cl2F3N4O2S/c19-11-5-8(30(29)18(21,22)23)6-12(20)15(11)27-16-9-1-4-25-17(28)14(9)10-7-24-3-2-13(10)26-16/h1-7H,(H,25,28)(H,26,27)
InChIKeyVNGZIACBZPYBMD-UHFFFAOYSA-N
MW473.26 g/mol
LogP5.15
Rot. Bonds3

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

6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (PubChem CID 59435967) has the molecular formula C18H9Cl2F3N4O2S and a molecular weight of 473.26 g/mol. Its IUPAC name is 6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
PubChem CID59435967
Molecular FormulaC18H9Cl2F3N4O2S
Molecular Weight473.26 g/mol
Exact Mass471.98
IUPAC Name6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESO=c1[nH]ccc2c(Nc3c(Cl)cc(S(=O)C(F)(F)F)cc3Cl)nc3ccncc3c12
InChIInChI=1S/C18H9Cl2F3N4O2S/c19-11-5-8(30(29)18(21,22)23)6-12(20)15(11)27-16-9-1-4-25-17(28)14(9)10-7-24-3-2-13(10)26-16/h1-7H,(H,25,28)(H,26,27)
InChIKeyVNGZIACBZPYBMD-UHFFFAOYSA-N
XLogP5.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.26
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 59436001
6-[(2-Chloro-4,6-difluorophenyl)amino]pyrido[4,3-c]-1,6-naphthyridin-10(9H)-one
CID 59436049
6-(2,6-dichloro-4-fluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 59436062
3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide
CID 59436066
6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 59435986
3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]benzenesulfonamide
CID 25225060
5-(2,6-dichloro-4-ethylsulfanylanilino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one
CID 25225061
3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-(2-methylpropyl)benzenesulfonamide
CID 25226030
6-[2,6-dichloro-4-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 59436009
6-({2,6-Dichloro-4-[(trifluoromethyl)thio]phenyl}amino)pyrido[4,3-c]-1,6-naphthyridin-10(9H)-one
CID 59436013
10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine
CID 59436039
6-(N-(2-chloro-4,6-difluorophenyl)anilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 68155779

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The IUPAC name of 6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (CID 59435967) is 6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.
What is the SMILES notation for 6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The canonical SMILES for 6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is O=c1[nH]ccc2c(Nc3c(Cl)cc(S(=O)C(F)(F)F)cc3Cl)nc3ccncc3c12.
What is the InChIKey of 6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The InChIKey is VNGZIACBZPYBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2F3N4O2S/c19-11-5-8(30(29)18(21,22)23)6-12(20)15(11)27-16-9-1-4-25-17(28)14(9)10-7-24-3-2-13(10)26-16/h1-7H,(H,25,28)(H,26,27).
What are the key properties of 6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one has a molecular weight of 473.26 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is sourced from PubChem (CID 59435967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).