6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride

C18H13ClF3N3O — CID 146055732

IUPAC6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride
SMILESCOc1ccc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2c1.Cl
InChIInChI=1S/C18H12F3N3O.ClH/c1-25-14-5-6-16-15(8-14)17(11(9-22)10-23-16)24-13-4-2-3-12(7-13)18(19,20)21;/h2-8,10H,1H3,(H,23,24);1H
InChIKeyMYZCSHIODFUVGU-UHFFFAOYSA-N
MW379.77 g/mol
LogP5.30
Rot. Bonds3

About 6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride

6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride (PubChem CID 146055732) has the molecular formula C18H13ClF3N3O and a molecular weight of 379.77 g/mol. Its IUPAC name is 6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride
PubChem CID146055732
Molecular FormulaC18H13ClF3N3O
Molecular Weight379.77 g/mol
Exact Mass379.07
IUPAC Name6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride
SMILESCOc1ccc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2c1.Cl
InChIInChI=1S/C18H12F3N3O.ClH/c1-25-14-5-6-16-15(8-14)17(11(9-22)10-23-16)24-13-4-2-3-12(7-13)18(19,20)21;/h2-8,10H,1H3,(H,23,24);1H
InChIKeyMYZCSHIODFUVGU-UHFFFAOYSA-N
XLogP5.30
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.77
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768577
6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055704
4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 97032475
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 50768454
4-(3-ethynylanilino)-7-methoxyquinoline-3-carbonitrile
CID 166629629
4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055711
4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile
CID 50768736
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
6-amino-4-[4-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phenoxy]anilino]quinoline-3-carbonitrile
CID 158001514
6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 71779766

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride?
The IUPAC name of 6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride (CID 146055732) is 6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride is COc1ccc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2c1.Cl.
What is the InChIKey of 6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride?
The InChIKey is MYZCSHIODFUVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O.ClH/c1-25-14-5-6-16-15(8-14)17(11(9-22)10-23-16)24-13-4-2-3-12(7-13)18(19,20)21;/h2-8,10H,1H3,(H,23,24);1H.
What are the key properties of 6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride?
6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride has a molecular weight of 379.77 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride is sourced from PubChem (CID 146055732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).