N-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine

C34H30F3N3O — CID 69206510

IUPACN-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine
SMILESCc1cc(Nc2cc(O[C@@H]3CCN(C(c4ccccc4)c4ccccc4)C3)cc(C(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C34H30F3N3O/c1-23-18-32(30-14-8-9-15-31(30)38-23)39-27-19-26(34(35,36)37)20-29(21-27)41-28-16-17-40(22-28)33(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,18-21,28,33H,16-17,22H2,1H3,(H,38,39)/t28-/m1/s1
InChIKeyRQEVTJLWNSCEJL-MUUNZHRXSA-N
MW553.63 g/mol
LogP8.55
Rot. Bonds7

About N-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine

N-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine (PubChem CID 69206510) has the molecular formula C34H30F3N3O and a molecular weight of 553.63 g/mol. Its IUPAC name is N-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine
PubChem CID69206510
Molecular FormulaC34H30F3N3O
Molecular Weight553.63 g/mol
Exact Mass553.23
IUPAC NameN-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine
SMILESCc1cc(Nc2cc(O[C@@H]3CCN(C(c4ccccc4)c4ccccc4)C3)cc(C(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C34H30F3N3O/c1-23-18-32(30-14-8-9-15-31(30)38-23)39-27-19-26(34(35,36)37)20-29(21-27)41-28-16-17-40(22-28)33(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,18-21,28,33H,16-17,22H2,1H3,(H,38,39)/t28-/m1/s1
InChIKeyRQEVTJLWNSCEJL-MUUNZHRXSA-N
XLogP8.55
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.63
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-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

Related Compounds

2-methyl-N-[3-(3-piperidin-1-ylpropoxy)-5-(trifluoromethyl)phenyl]quinolin-4-amine
CID 59644155
N-[3-[2-[(1R,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine
CID 59648453
N-[3-[2-[4-(3,5-dimethylphenyl)-4-methylpiperidin-1-yl]ethoxy]-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine
CID 71137961
4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 97356612
1-[iodo(phenyl)methyl]-3-[3-(trifluoromethyl)phenoxy]pyrrolidine
CID 70402426
1-[(1S)-5-[2-[3-[(2-methylquinolin-4-yl)amino]-5-(trifluoromethyl)phenoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 69206516
N-[3-[2-[(1R,4R)-5-[(3,4-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine
CID 59644262
N-[3-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethoxy]-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine
CID 69206492
N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine
CID 59644304
N-tert-butyl-5-[2-[3-[(2-methylquinolin-4-yl)amino]-5-(trifluoromethyl)phenoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 68866247
N-benzyl-5-[2-[3-[(2-methylquinolin-4-yl)amino]-5-(trifluoromethyl)phenoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 68866101
N-[3-[3-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)amino]propoxy]-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine
CID 143796536

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine?
The IUPAC name of N-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine (CID 69206510) is N-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine.
What is the SMILES notation for N-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine?
The canonical SMILES for N-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine is Cc1cc(Nc2cc(O[C@@H]3CCN(C(c4ccccc4)c4ccccc4)C3)cc(C(F)(F)F)c2)c2ccccc2n1.
What is the InChIKey of N-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine?
The InChIKey is RQEVTJLWNSCEJL-MUUNZHRXSA-N. The full InChI is InChI=1S/C34H30F3N3O/c1-23-18-32(30-14-8-9-15-31(30)38-23)39-27-19-26(34(35,36)37)20-29(21-27)41-28-16-17-40(22-28)33(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,18-21,28,33H,16-17,22H2,1H3,(H,38,39)/t28-/m1/s1.
What are the key properties of N-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine?
N-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine has a molecular weight of 553.63 g/mol, XLogP of 8.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine is sourced from PubChem (CID 69206510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).