N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine

C23H24F3N3O — CID 71899470

IUPACN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
SMILESCOc1ccc(C(CNc2cc(C(F)(F)F)nc3ccccc23)N2CCCC2)cc1
InChIInChI=1S/C23H24F3N3O/c1-30-17-10-8-16(9-11-17)21(29-12-4-5-13-29)15-27-20-14-22(23(24,25)26)28-19-7-3-2-6-18(19)20/h2-3,6-11,14,21H,4-5,12-13,15H2,1H3,(H,27,28)
InChIKeyRTZFSUDGWCCLIG-UHFFFAOYSA-N
MW415.46 g/mol
LogP5.51
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 71899470) has the molecular formula C23H24F3N3O and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
PubChem CID71899470
Molecular FormulaC23H24F3N3O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
SMILESCOc1ccc(C(CNc2cc(C(F)(F)F)nc3ccccc23)N2CCCC2)cc1
InChIInChI=1S/C23H24F3N3O/c1-30-17-10-8-16(9-11-17)21(29-12-4-5-13-29)15-27-20-14-22(23(24,25)26)28-19-7-3-2-6-18(19)20/h2-3,6-11,14,21H,4-5,12-13,15H2,1H3,(H,27,28)
InChIKeyRTZFSUDGWCCLIG-UHFFFAOYSA-N
XLogP5.51
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
CID 97083925
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-benzothiazol-2-amine
CID 60592256
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylquinolin-4-amine
CID 71899447
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 55352459
2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60590060
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4841220
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914147
1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
CID 101409454
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 31141116
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914146
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea
CID 17460329
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 146025289

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine (CID 71899470) is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine is COc1ccc(C(CNc2cc(C(F)(F)F)nc3ccccc23)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is RTZFSUDGWCCLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O/c1-30-17-10-8-16(9-11-17)21(29-12-4-5-13-29)15-27-20-14-22(23(24,25)26)28-19-7-3-2-6-18(19)20/h2-3,6-11,14,21H,4-5,12-13,15H2,1H3,(H,27,28).
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine?
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 415.46 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 71899470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).