N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine

C20H18F3N3O — CID 10970771

IUPACN-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine
SMILESCNc1nc2c(OC(F)(F)F)cccc2c2c1CCN2c1ccccc1C
InChIInChI=1S/C20H18F3N3O/c1-12-6-3-4-8-15(12)26-11-10-14-18(26)13-7-5-9-16(27-20(21,22)23)17(13)25-19(14)24-2/h3-9H,10-11H2,1-2H3,(H,24,25)
InChIKeyHLWFAPUZUYJEOE-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.18
Rot. Bonds3

About N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine

N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine (PubChem CID 10970771) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine
PubChem CID10970771
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine
SMILESCNc1nc2c(OC(F)(F)F)cccc2c2c1CCN2c1ccccc1C
InChIInChI=1S/C20H18F3N3O/c1-12-6-3-4-8-15(12)26-11-10-14-18(26)13-7-5-9-16(27-20(21,22)23)17(13)25-19(14)24-2/h3-9H,10-11H2,1-2H3,(H,24,25)
InChIKeyHLWFAPUZUYJEOE-UHFFFAOYSA-N
XLogP5.18
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine?
The IUPAC name of N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine (CID 10970771) is N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine is CNc1nc2c(OC(F)(F)F)cccc2c2c1CCN2c1ccccc1C.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine?
The InChIKey is HLWFAPUZUYJEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-12-6-3-4-8-15(12)26-11-10-14-18(26)13-7-5-9-16(27-20(21,22)23)17(13)25-19(14)24-2/h3-9H,10-11H2,1-2H3,(H,24,25).
What are the key properties of N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine?
N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine has a molecular weight of 373.38 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine is sourced from PubChem (CID 10970771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).