2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine

C24H27F3N4 — CID 170555847

IUPAC2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine
SMILESCc1cc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(N3CCNCC3)ccc2n1
InChIInChI=1S/C24H27F3N4/c1-15-13-23(30-17(3)19-5-4-6-21(16(19)2)24(25,26)27)20-14-18(7-8-22(20)29-15)31-11-9-28-10-12-31/h4-8,13-14,17,28H,9-12H2,1-3H3,(H,29,30)/t17-/m1/s1
InChIKeyRAJRZCCWSLNANU-QGZVFWFLSA-N
MW428.50 g/mol
LogP5.45
Rot. Bonds4

About 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine

2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine (PubChem CID 170555847) has the molecular formula C24H27F3N4 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine
PubChem CID170555847
Molecular FormulaC24H27F3N4
Molecular Weight428.50 g/mol
Exact Mass428.22
IUPAC Name2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine
SMILESCc1cc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(N3CCNCC3)ccc2n1
InChIInChI=1S/C24H27F3N4/c1-15-13-23(30-17(3)19-5-4-6-21(16(19)2)24(25,26)27)20-14-18(7-8-22(20)29-15)31-11-9-28-10-12-31/h4-8,13-14,17,28H,9-12H2,1-3H3,(H,29,30)/t17-/m1/s1
InChIKeyRAJRZCCWSLNANU-QGZVFWFLSA-N
XLogP5.45
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine
CID 174335664
2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
CID 175944503
6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
CID 171658325
N-[(1R)-1-(5-amino-2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine
CID 170555816
7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine
CID 175761070
2-methyl-N-[1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine;hydrochloride
CID 175500249
(1S)-N'-(4-methyl-7-piperazin-1-ylphthalazin-1-yl)-1-[2-methyl-3-(trifluoromethyl)phenyl]methanediamine
CID 156526771
N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine
CID 171658454
7-[(6R)-6-fluoro-1,4-diazepan-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine;hydrochloride
CID 168845618
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine
CID 171658316
N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide
CID 170555779
[4-[4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 171658401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine?
The IUPAC name of 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine (CID 170555847) is 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine?
The canonical SMILES for 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine is Cc1cc(N[C@H](C)c2cccc(C(F)(F)F)c2C)c2cc(N3CCNCC3)ccc2n1.
What is the InChIKey of 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine?
The InChIKey is RAJRZCCWSLNANU-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27F3N4/c1-15-13-23(30-17(3)19-5-4-6-21(16(19)2)24(25,26)27)20-14-18(7-8-22(20)29-15)31-11-9-28-10-12-31/h4-8,13-14,17,28H,9-12H2,1-3H3,(H,29,30)/t17-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine?
2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine has a molecular weight of 428.50 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine is sourced from PubChem (CID 170555847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).