6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine

C27H24F3N3O — CID 53329175

IUPAC6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine
SMILESCc1cccc(-c2cccc(C(F)(F)F)c2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C27H24F3N3O/c1-17-4-2-7-22(18-5-3-6-21(15-18)27(28,29)30)25(17)19-8-9-23-20(14-19)16-24(26(31)32-23)33-10-12-34-13-11-33/h2-9,14-16H,10-13H2,1H3,(H2,31,32)
InChIKeyOZPZPLHFLSYZGS-UHFFFAOYSA-N
MW463.50 g/mol
LogP6.31
Rot. Bonds3

About 6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine

6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine (PubChem CID 53329175) has the molecular formula C27H24F3N3O and a molecular weight of 463.50 g/mol. Its IUPAC name is 6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine.

Molecular Properties

Compound Name6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine
PubChem CID53329175
Molecular FormulaC27H24F3N3O
Molecular Weight463.50 g/mol
Exact Mass463.19
IUPAC Name6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine
SMILESCc1cccc(-c2cccc(C(F)(F)F)c2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C27H24F3N3O/c1-17-4-2-7-22(18-5-3-6-21(15-18)27(28,29)30)25(17)19-8-9-23-20(14-19)16-24(26(31)32-23)33-10-12-34-13-11-33/h2-9,14-16H,10-13H2,1H3,(H2,31,32)
InChIKeyOZPZPLHFLSYZGS-UHFFFAOYSA-N
XLogP6.31
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine?
The IUPAC name of 6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine (CID 53329175) is 6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine.
What is the SMILES notation for 6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine?
The canonical SMILES for 6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine is Cc1cccc(-c2cccc(C(F)(F)F)c2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of 6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine?
The InChIKey is OZPZPLHFLSYZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O/c1-17-4-2-7-22(18-5-3-6-21(15-18)27(28,29)30)25(17)19-8-9-23-20(14-19)16-24(26(31)32-23)33-10-12-34-13-11-33/h2-9,14-16H,10-13H2,1H3,(H2,31,32).
What are the key properties of 6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine?
6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine has a molecular weight of 463.50 g/mol, XLogP of 6.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]-3-morpholin-4-ylquinolin-2-amine is sourced from PubChem (CID 53329175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).