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

C19H10Cl2F2N4O2 — CID 59436009

IUPAC6-[2,6-dichloro-4-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESO=C(c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1)C(F)F
InChIInChI=1S/C19H10Cl2F2N4O2/c20-11-5-8(16(28)17(22)23)6-12(21)15(11)27-18-9-1-4-25-19(29)14(9)10-7-24-3-2-13(10)26-18/h1-7,17H,(H,25,29)(H,26,27)
InChIKeyYKQCSWOEHVCYTH-UHFFFAOYSA-N
MW435.22 g/mol
LogP4.97
Rot. Bonds4

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

6-[2,6-dichloro-4-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (PubChem CID 59436009) has the molecular formula C19H10Cl2F2N4O2 and a molecular weight of 435.22 g/mol. Its IUPAC name is 6-[2,6-dichloro-4-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name6-[2,6-dichloro-4-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
PubChem CID59436009
Molecular FormulaC19H10Cl2F2N4O2
Molecular Weight435.22 g/mol
Exact Mass434.01
IUPAC Name6-[2,6-dichloro-4-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESO=C(c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1)C(F)F
InChIInChI=1S/C19H10Cl2F2N4O2/c20-11-5-8(16(28)17(22)23)6-12(21)15(11)27-18-9-1-4-25-19(29)14(9)10-7-24-3-2-13(10)26-18/h1-7,17H,(H,25,29)(H,26,27)
InChIKeyYKQCSWOEHVCYTH-UHFFFAOYSA-N
XLogP4.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.22
LogP ≤ 54.97
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-{[2,6-Dichloro-4-(1H-pyrazol-5-yl)phenyl]amino}pyrido[4,3-c]-1,6-naphthyridin-10(9H)-one
CID 59436022
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-{[2,6-Dichloro-4-(1-hydroxy-1-methylethyl)phenyl]amino}pyrido[4,3-c]-1,6-naphthyridin-10(9H)-one
CID 59436109
5-(2-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57392126
6-[2,6-dichloro-4-(1-hydroxyethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 76314606
CID 76321886
CID 76321886
6-[(3,5-dichloro-4-pyridinyl)amino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 59435986
6-(2,4,6-trifluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 59435987
5-(3-chloroanilino)-N-(2,2-difluoroethyl)benzo[c][2,6]naphthyridine-8-carboxamide
CID 156861575

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-dichloro-4-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The IUPAC name of 6-[2,6-dichloro-4-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (CID 59436009) is 6-[2,6-dichloro-4-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.
What is the SMILES notation for 6-[2,6-dichloro-4-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The canonical SMILES for 6-[2,6-dichloro-4-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is O=C(c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1)C(F)F.
What is the InChIKey of 6-[2,6-dichloro-4-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The InChIKey is YKQCSWOEHVCYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2F2N4O2/c20-11-5-8(16(28)17(22)23)6-12(21)15(11)27-18-9-1-4-25-19(29)14(9)10-7-24-3-2-13(10)26-18/h1-7,17H,(H,25,29)(H,26,27).
What are the key properties of 6-[2,6-dichloro-4-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
6-[2,6-dichloro-4-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one has a molecular weight of 435.22 g/mol, XLogP of 4.97, 4 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-(2,2-difluoroacetyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is sourced from PubChem (CID 59436009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).