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

C18H9Cl2F3N4O — CID 59436001

IUPAC6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESO=c1[nH]ccc2c(Nc3c(Cl)cc(C(F)(F)F)cc3Cl)nc3ccncc3c12
InChIInChI=1S/C18H9Cl2F3N4O/c19-11-5-8(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)
InChIKeyXDVPPCRXMKACCE-UHFFFAOYSA-N
MW425.20 g/mol
LogP5.54
Rot. Bonds2

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

6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (PubChem CID 59436001) has the molecular formula C18H9Cl2F3N4O and a molecular weight of 425.20 g/mol. Its IUPAC name is 6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
PubChem CID59436001
Molecular FormulaC18H9Cl2F3N4O
Molecular Weight425.20 g/mol
Exact Mass424.01
IUPAC Name6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESO=c1[nH]ccc2c(Nc3c(Cl)cc(C(F)(F)F)cc3Cl)nc3ccncc3c12
InChIInChI=1S/C18H9Cl2F3N4O/c19-11-5-8(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)
InChIKeyXDVPPCRXMKACCE-UHFFFAOYSA-N
XLogP5.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.20
LogP ≤ 55.54
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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Related Compounds

CID 59436022
CID 59436022
CID 59436049
CID 59436049
CID 59436062
CID 59436062
CID 59436066
CID 59436066
CID 59436109
CID 59436109
CID 57392126
CID 57392126
CID 76314606
CID 76314606
CID 76321886
CID 76321886
CID 25025510
CID 25025510
CID 59435986
CID 59435986
CID 59435987
CID 59435987
CID 59436080
CID 59436080

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The IUPAC name of 6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (CID 59436001) is 6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.
What is the SMILES notation for 6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The canonical SMILES for 6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is O=c1[nH]ccc2c(Nc3c(Cl)cc(C(F)(F)F)cc3Cl)nc3ccncc3c12.
What is the InChIKey of 6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The InChIKey is XDVPPCRXMKACCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2F3N4O/c19-11-5-8(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-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one has a molecular weight of 425.20 g/mol, XLogP of 5.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is sourced from PubChem (CID 59436001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).