N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine

C32H34F3N3O — CID 59644304

IUPACN-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine
SMILESCC(C)c1cc(Nc2cc(OCCN3CCC(c4ccccc4)CC3)cc(C(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C32H34F3N3O/c1-22(2)30-21-31(28-10-6-7-11-29(28)37-30)36-26-18-25(32(33,34)35)19-27(20-26)39-17-16-38-14-12-24(13-15-38)23-8-4-3-5-9-23/h3-11,18-22,24H,12-17H2,1-2H3,(H,36,37)
InChIKeyDMJGZIQTAHHRTB-UHFFFAOYSA-N
MW533.64 g/mol
LogP8.38
Rot. Bonds8

About N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine

N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine (PubChem CID 59644304) has the molecular formula C32H34F3N3O and a molecular weight of 533.64 g/mol. Its IUPAC name is N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine
PubChem CID59644304
Molecular FormulaC32H34F3N3O
Molecular Weight533.64 g/mol
Exact Mass533.27
IUPAC NameN-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine
SMILESCC(C)c1cc(Nc2cc(OCCN3CCC(c4ccccc4)CC3)cc(C(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C32H34F3N3O/c1-22(2)30-21-31(28-10-6-7-11-29(28)37-30)36-26-18-25(32(33,34)35)19-27(20-26)39-17-16-38-14-12-24(13-15-38)23-8-4-3-5-9-23/h3-11,18-22,24H,12-17H2,1-2H3,(H,36,37)
InChIKeyDMJGZIQTAHHRTB-UHFFFAOYSA-N
XLogP8.38
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.64
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-(3-piperidin-1-ylpropoxy)-5-(trifluoromethyl)phenyl]quinolin-4-amine
CID 59644155
N-[3-[2-[4-(3,5-dimethylphenyl)-4-methylpiperidin-1-yl]ethoxy]-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine
CID 71137961
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-[2-(benzenesulfonyl)piperazin-1-yl]ethoxy]-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine
CID 69206492
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-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-[3-[(3R)-1-benzhydrylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine
CID 69206510
N-[3-[3-[(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)amino]propoxy]-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine
CID 143796536
3-[3-[3-[(2-methylquinolin-4-yl)amino]-5-(trifluoromethyl)phenoxy]propylamino]adamantane-1-carboxylic acid
CID 25265390
4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid
CID 59644216
4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 23294464

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine?
The IUPAC name of N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine (CID 59644304) is N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine.
What is the SMILES notation for N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine?
The canonical SMILES for N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine is CC(C)c1cc(Nc2cc(OCCN3CCC(c4ccccc4)CC3)cc(C(F)(F)F)c2)c2ccccc2n1.
What is the InChIKey of N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine?
The InChIKey is DMJGZIQTAHHRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N3O/c1-22(2)30-21-31(28-10-6-7-11-29(28)37-30)36-26-18-25(32(33,34)35)19-27(20-26)39-17-16-38-14-12-24(13-15-38)23-8-4-3-5-9-23/h3-11,18-22,24H,12-17H2,1-2H3,(H,36,37).
What are the key properties of N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine?
N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine has a molecular weight of 533.64 g/mol, XLogP of 8.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]-2-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 59644304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).