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

C22H23F3N4 — CID 171658454

IUPACN-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine
SMILESCc1c(CNc2ccnc3ccc(N4CCNCC4)cc23)cccc1C(F)(F)F
InChIInChI=1S/C22H23F3N4/c1-15-16(3-2-4-19(15)22(23,24)25)14-28-21-7-8-27-20-6-5-17(13-18(20)21)29-11-9-26-10-12-29/h2-8,13,26H,9-12,14H2,1H3,(H,27,28)
InChIKeyCISVKMUTFGTVJK-UHFFFAOYSA-N
MW400.45 g/mol
LogP4.58
Rot. Bonds4

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

N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine (PubChem CID 171658454) has the molecular formula C22H23F3N4 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine
PubChem CID171658454
Molecular FormulaC22H23F3N4
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC NameN-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine
SMILESCc1c(CNc2ccnc3ccc(N4CCNCC4)cc23)cccc1C(F)(F)F
InChIInChI=1S/C22H23F3N4/c1-15-16(3-2-4-19(15)22(23,24)25)14-28-21-7-8-27-20-6-5-17(13-18(20)21)29-11-9-26-10-12-29/h2-8,13,26H,9-12,14H2,1H3,(H,27,28)
InChIKeyCISVKMUTFGTVJK-UHFFFAOYSA-N
XLogP4.58
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
CID 171658325
2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine
CID 170555847
6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine
CID 171504317
[4-[7-methoxy-4-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]quinolin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone
CID 171658444
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine
CID 171658316
N-ethyl-6-piperidin-1-ylquinolin-4-amine
CID 63180896
[4-[4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 171658401
N-ethyl-6-morpholin-4-ylquinolin-4-amine
CID 63181063
(1S)-N'-(4-methyl-7-piperazin-1-ylphthalazin-1-yl)-1-[2-methyl-3-(trifluoromethyl)phenyl]methanediamine
CID 156526771
ethane;1-[4-[[2-fluoro-5-hydroxy-3-(trifluoromethyl)phenyl]methylamino]cinnolin-6-yl]-4-methylpiperidin-4-ol
CID 171503943
5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 24872598
4-chloro-N-(2-methyl-4-piperazin-1-ylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 123924474

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine?
The IUPAC name of N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine (CID 171658454) is N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine.
What is the SMILES notation for N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine?
The canonical SMILES for N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine is Cc1c(CNc2ccnc3ccc(N4CCNCC4)cc23)cccc1C(F)(F)F.
What is the InChIKey of N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine?
The InChIKey is CISVKMUTFGTVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4/c1-15-16(3-2-4-19(15)22(23,24)25)14-28-21-7-8-27-20-6-5-17(13-18(20)21)29-11-9-26-10-12-29/h2-8,13,26H,9-12,14H2,1H3,(H,27,28).
What are the key properties of N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine?
N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine has a molecular weight of 400.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine is sourced from PubChem (CID 171658454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).