N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine

C19H11Cl2F3N4OS — CID 59436077

IUPACN-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine
SMILESCOc1nccc2c(Nc3c(Cl)cc(SC(F)(F)F)cc3Cl)nc3ccncc3c12
InChIInChI=1S/C19H11Cl2F3N4OS/c1-29-18-15-10(2-5-26-18)17(27-14-3-4-25-8-11(14)15)28-16-12(20)6-9(7-13(16)21)30-19(22,23)24/h2-8H,1H3,(H,27,28)
InChIKeyDBOUGOBBOCHRJW-UHFFFAOYSA-N
MW471.29 g/mol
LogP6.85
Rot. Bonds4

About N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine

N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine (PubChem CID 59436077) has the molecular formula C19H11Cl2F3N4OS and a molecular weight of 471.29 g/mol. Its IUPAC name is N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine.

Molecular Properties

Compound NameN-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine
PubChem CID59436077
Molecular FormulaC19H11Cl2F3N4OS
Molecular Weight471.29 g/mol
Exact Mass470.00
IUPAC NameN-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine
SMILESCOc1nccc2c(Nc3c(Cl)cc(SC(F)(F)F)cc3Cl)nc3ccncc3c12
InChIInChI=1S/C19H11Cl2F3N4OS/c1-29-18-15-10(2-5-26-18)17(27-14-3-4-25-8-11(14)15)28-16-12(20)6-9(7-13(16)21)30-19(22,23)24/h2-8H,1H3,(H,27,28)
InChIKeyDBOUGOBBOCHRJW-UHFFFAOYSA-N
XLogP6.85
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.29
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine?
The IUPAC name of N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine (CID 59436077) is N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine.
What is the SMILES notation for N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine?
The canonical SMILES for N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine is COc1nccc2c(Nc3c(Cl)cc(SC(F)(F)F)cc3Cl)nc3ccncc3c12.
What is the InChIKey of N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine?
The InChIKey is DBOUGOBBOCHRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N4OS/c1-29-18-15-10(2-5-26-18)17(27-14-3-4-25-8-11(14)15)28-16-12(20)6-9(7-13(16)21)30-19(22,23)24/h2-8H,1H3,(H,27,28).
What are the key properties of N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine?
N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine has a molecular weight of 471.29 g/mol, XLogP of 6.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-10-methoxypyrido[4,3-c][1,6]naphthyridin-6-amine is sourced from PubChem (CID 59436077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).