6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine

C24H27F3N4 — CID 171658325

About 6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine

6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine (PubChem CID 171658325) has the molecular formula C24H27F3N4 and a molecular weight of 428.50 g/mol. Its IUPAC name is 6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine.

Molecular Properties

• Compound Name: 6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
• PubChem CID: 171658325
• Molecular Formula: C24H27F3N4
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.22
• IUPAC Name: 6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
• SMILES: Cc1c([C@@H](C)Nc2ccnc3ccc(N4CCN[C@H](C)C4)cc23)cccc1C(F)(F)F
• InChI: InChI=1S/C24H27F3N4/c1-15-14-31(12-11-28-15)18-7-8-22-20(13-18)23(9-10-29-22)30-17(3)19-5-4-6-21(16(19)2)24(25,26)27/h4-10,13,15,17,28H,11-12,14H2,1-3H3,(H,29,30)/t15-,17-/m1/s1
• InChIKey: VHQJWEPNNAEROG-NVXWUHKLSA-N
• XLogP: 5.53
• TPSA: 40.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine?

The IUPAC name of 6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine (CID 171658325) is 6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine.

What is the SMILES notation for 6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine?

The canonical SMILES for 6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine is Cc1c([C@@H](C)Nc2ccnc3ccc(N4CCN[C@H](C)C4)cc23)cccc1C(F)(F)F.

What is the InChIKey of 6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine?

The InChIKey is VHQJWEPNNAEROG-NVXWUHKLSA-N. The full InChI is InChI=1S/C24H27F3N4/c1-15-14-31(12-11-28-15)18-7-8-22-20(13-18)23(9-10-29-22)30-17(3)19-5-4-6-21(16(19)2)24(25,26)27/h4-10,13,15,17,28H,11-12,14H2,1-3H3,(H,29,30)/t15-,17-/m1/s1.

What are the key properties of 6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine?

6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine has a molecular weight of 428.50 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3R)-3-methylpiperazin-1-yl]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine is sourced from PubChem (CID 171658325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).