2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile

C19H14F3N3O2 — CID 135378112

IUPAC2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile
SMILESCOc1cc(NCc2cc3cccc(C(F)(F)F)c3[nH]c2=O)ccc1C#N
InChIInChI=1S/C19H14F3N3O2/c1-27-16-8-14(6-5-12(16)9-23)24-10-13-7-11-3-2-4-15(19(20,21)22)17(11)25-18(13)26/h2-8,24H,10H2,1H3,(H,25,26)
InChIKeyZXQSEJMLUBNWCT-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.04
Rot. Bonds4

About 2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile

2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile (PubChem CID 135378112) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile
PubChem CID135378112
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile
SMILESCOc1cc(NCc2cc3cccc(C(F)(F)F)c3[nH]c2=O)ccc1C#N
InChIInChI=1S/C19H14F3N3O2/c1-27-16-8-14(6-5-12(16)9-23)24-10-13-7-11-3-2-4-15(19(20,21)22)17(11)25-18(13)26/h2-8,24H,10H2,1H3,(H,25,26)
InChIKeyZXQSEJMLUBNWCT-UHFFFAOYSA-N
XLogP4.04
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile with MolForge

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Related Compounds

4-{[(6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile
CID 118955625
4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile
CID 156716015
2-[3-(Anilinomethyl)-7-methoxy-2-oxo-1(2H)-quinolinyl]-N-(2,4-dimethylphenyl)acetamide
CID 16023225
2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile
CID 118955570
4-[(6-bromo-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
CID 118955582
(S)-4-((1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-2-methoxy benzonitrile
CID 118955607
4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile
CID 118955611
2-methoxy-4-[[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile
CID 118955613
4-[(6-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
CID 118955667
2-methoxy-4-[(2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile
CID 118955691
2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile
CID 118955715
4-[(6-tert-butyl-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
CID 118955721

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile?
The IUPAC name of 2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile (CID 135378112) is 2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile?
The canonical SMILES for 2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile is COc1cc(NCc2cc3cccc(C(F)(F)F)c3[nH]c2=O)ccc1C#N.
What is the InChIKey of 2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile?
The InChIKey is ZXQSEJMLUBNWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-27-16-8-14(6-5-12(16)9-23)24-10-13-7-11-3-2-4-15(19(20,21)22)17(11)25-18(13)26/h2-8,24H,10H2,1H3,(H,25,26).
What are the key properties of 2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile?
2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile has a molecular weight of 373.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[2-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile is sourced from PubChem (CID 135378112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).