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

C30H30F3N3O — CID 10097679

IUPAC2-methyl-N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]quinolin-4-amine
SMILESCc1cc(Nc2cc(OCCN3CCC(c4ccccc4)CC3)cc(C(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C30H30F3N3O/c1-21-17-29(27-9-5-6-10-28(27)34-21)35-25-18-24(30(31,32)33)19-26(20-25)37-16-15-36-13-11-23(12-14-36)22-7-3-2-4-8-22/h2-10,17-20,23H,11-16H2,1H3,(H,34,35)
InChIKeyICUJQZJQWSIONA-UHFFFAOYSA-N
MW505.58 g/mol
LogP7.56
Rot. Bonds7

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

2-methyl-N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]quinolin-4-amine (PubChem CID 10097679) has the molecular formula C30H30F3N3O and a molecular weight of 505.58 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]quinolin-4-amine
PubChem CID10097679
Molecular FormulaC30H30F3N3O
Molecular Weight505.58 g/mol
Exact Mass505.23
IUPAC Name2-methyl-N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]quinolin-4-amine
SMILESCc1cc(Nc2cc(OCCN3CCC(c4ccccc4)CC3)cc(C(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C30H30F3N3O/c1-21-17-29(27-9-5-6-10-28(27)34-21)35-25-18-24(30(31,32)33)19-26(20-25)37-16-15-36-13-11-23(12-14-36)22-7-3-2-4-8-22/h2-10,17-20,23H,11-16H2,1H3,(H,34,35)
InChIKeyICUJQZJQWSIONA-UHFFFAOYSA-N
XLogP7.56
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.58
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]quinolin-4-amine?
The IUPAC name of 2-methyl-N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]quinolin-4-amine (CID 10097679) is 2-methyl-N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]quinolin-4-amine?
The canonical SMILES for 2-methyl-N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]quinolin-4-amine is Cc1cc(Nc2cc(OCCN3CCC(c4ccccc4)CC3)cc(C(F)(F)F)c2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]quinolin-4-amine?
The InChIKey is ICUJQZJQWSIONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N3O/c1-21-17-29(27-9-5-6-10-28(27)34-21)35-25-18-24(30(31,32)33)19-26(20-25)37-16-15-36-13-11-23(12-14-36)22-7-3-2-4-8-22/h2-10,17-20,23H,11-16H2,1H3,(H,34,35).
What are the key properties of 2-methyl-N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]quinolin-4-amine?
2-methyl-N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]quinolin-4-amine has a molecular weight of 505.58 g/mol, XLogP of 7.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-(4-phenylpiperidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl]quinolin-4-amine is sourced from PubChem (CID 10097679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).