4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile

C18H12F3N3O — CID 135272139

IUPAC4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile
SMILESCNc1c(C#N)c(C(F)(F)F)nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C18H12F3N3O/c1-23-16-13-9-12(25-11-5-3-2-4-6-11)7-8-15(13)24-17(14(16)10-22)18(19,20)21/h2-9H,1H3,(H,23,24)
InChIKeyARZQAEHEHAAIAV-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.96
Rot. Bonds3

About 4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile

4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile (PubChem CID 135272139) has the molecular formula C18H12F3N3O and a molecular weight of 343.31 g/mol. Its IUPAC name is 4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile
PubChem CID135272139
Molecular FormulaC18H12F3N3O
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC Name4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile
SMILESCNc1c(C#N)c(C(F)(F)F)nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C18H12F3N3O/c1-23-16-13-9-12(25-11-5-3-2-4-6-11)7-8-15(13)24-17(14(16)10-22)18(19,20)21/h2-9H,1H3,(H,23,24)
InChIKeyARZQAEHEHAAIAV-UHFFFAOYSA-N
XLogP4.96
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethacridine
CID 2017
4-Amino-6-methoxy-2-(trifluoromethyl)-3-quinolinecarbonitrile
CID 824060
7-Methoxytacrine
CID 119053
9-Amino-2-methoxyacridine
CID 18867
Acridine, 9-(p-anisidino)-
CID 43640
6-Ethoxy-2-methylquinoline
CID 81118
6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
CID 1070294
3-Methoxy-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432680
4-[1-(4-Methoxyphenyl)ethenyl]quinoline-2-carbonitrile
CID 118443998
4-Amino-2-(chloro-difluoro-methyl)-6-methoxy-quinoline-3-carbonitrile
CID 619250
N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine
CID 715734
N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine
CID 798218

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
The IUPAC name of 4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile (CID 135272139) is 4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile is CNc1c(C#N)c(C(F)(F)F)nc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of 4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
The InChIKey is ARZQAEHEHAAIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O/c1-23-16-13-9-12(25-11-5-3-2-4-6-11)7-8-15(13)24-17(14(16)10-22)18(19,20)21/h2-9H,1H3,(H,23,24).
What are the key properties of 4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile has a molecular weight of 343.31 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile is sourced from PubChem (CID 135272139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).