4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile

C23H20F3N3O — CID 22054565

IUPAC4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile
SMILESCc1cc2c(N3CCCC3)ccnc2cc1COc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O/c1-15-10-19-21(28-7-6-22(19)29-8-2-3-9-29)11-17(15)14-30-18-5-4-16(13-27)20(12-18)23(24,25)26/h4-7,10-12H,2-3,8-9,14H2,1H3
InChIKeyIQJHPZWISVFRFY-UHFFFAOYSA-N
MW411.43 g/mol
LogP5.61
Rot. Bonds4

About 4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile

4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile (PubChem CID 22054565) has the molecular formula C23H20F3N3O and a molecular weight of 411.43 g/mol. Its IUPAC name is 4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile
PubChem CID22054565
Molecular FormulaC23H20F3N3O
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile
SMILESCc1cc2c(N3CCCC3)ccnc2cc1COc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O/c1-15-10-19-21(28-7-6-22(19)29-8-2-3-9-29)11-17(15)14-30-18-5-4-16(13-27)20(12-18)23(24,25)26/h4-7,10-12H,2-3,8-9,14H2,1H3
InChIKeyIQJHPZWISVFRFY-UHFFFAOYSA-N
XLogP5.61
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.43
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile 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

3-[4-(7-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-cyclohexyl]-1H-indole-5-carbonitrile
CID 10178164
3-Ethoxy-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432682
3-Methoxy-5-(1,6-naphthyridin-7-yl)benzonitrile
CID 44434727
4-(4-((8-(3-(Difluoromethoxy)phenyl)quinolin-6-yl)methoxy)phenyl)-2-methylbutan-2-ol
CID 46933992
3-(4-((8-(3-(Difluoromethoxy)phenyl)quinolin-6-yl)methoxy)phenyl)propanenitrile
CID 49865643
9-Methoxy-5,6,11-trimethylpyrido[4,3-b]carbazole
CID 97260
9-ethoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 373611
7,8-Dimethoxy-4-(4-phenoxyanilino)benzo[g]quinoline-3-carbonitrile
CID 10225656
US9902722, Example 89
CID 118419887
US10544120, Example 73
CID 145743369
5,11-dimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazole
CID 373607
9-Methoxy-2,6-dimethylellipticinium iodide
CID 24193683

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile (CID 22054565) is 4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile is Cc1cc2c(N3CCCC3)ccnc2cc1COc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile?
The InChIKey is IQJHPZWISVFRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O/c1-15-10-19-21(28-7-6-22(19)29-8-2-3-9-29)11-17(15)14-30-18-5-4-16(13-27)20(12-18)23(24,25)26/h4-7,10-12H,2-3,8-9,14H2,1H3.
What are the key properties of 4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile?
4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile has a molecular weight of 411.43 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 22054565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).