N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine

C30H27F6N3O — CID 59028242

IUPACN-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine
SMILESCc1ccccc1-c1cc(N2CCOCC2)nc2ccc(NC(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12
InChIInChI=1S/C30H27F6N3O/c1-18-5-3-4-6-24(18)25-17-28(39-9-11-40-12-10-39)38-27-8-7-23(16-26(25)27)37-19(2)20-13-21(29(31,32)33)15-22(14-20)30(34,35)36/h3-8,13-17,19,37H,9-12H2,1-2H3
InChIKeyGYGQFXCFAHHPDF-UHFFFAOYSA-N
MW559.55 g/mol
LogP8.26
Rot. Bonds5

About N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine

N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine (PubChem CID 59028242) has the molecular formula C30H27F6N3O and a molecular weight of 559.55 g/mol. Its IUPAC name is N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine.

Molecular Properties

Compound NameN-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine
PubChem CID59028242
Molecular FormulaC30H27F6N3O
Molecular Weight559.55 g/mol
Exact Mass559.21
IUPAC NameN-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine
SMILESCc1ccccc1-c1cc(N2CCOCC2)nc2ccc(NC(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12
InChIInChI=1S/C30H27F6N3O/c1-18-5-3-4-6-24(18)25-17-28(39-9-11-40-12-10-39)38-27-8-7-23(16-26(25)27)37-19(2)20-13-21(29(31,32)33)15-22(14-20)30(34,35)36/h3-8,13-17,19,37H,9-12H2,1-2H3
InChIKeyGYGQFXCFAHHPDF-UHFFFAOYSA-N
XLogP8.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.55
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine?
The IUPAC name of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine (CID 59028242) is N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine.
What is the SMILES notation for N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine?
The canonical SMILES for N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine is Cc1ccccc1-c1cc(N2CCOCC2)nc2ccc(NC(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12.
What is the InChIKey of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine?
The InChIKey is GYGQFXCFAHHPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F6N3O/c1-18-5-3-4-6-24(18)25-17-28(39-9-11-40-12-10-39)38-27-8-7-23(16-26(25)27)37-19(2)20-13-21(29(31,32)33)15-22(14-20)30(34,35)36/h3-8,13-17,19,37H,9-12H2,1-2H3.
What are the key properties of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine?
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine has a molecular weight of 559.55 g/mol, XLogP of 8.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-2-morpholin-4-ylquinolin-6-amine is sourced from PubChem (CID 59028242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).