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

C23H24F3N3O — CID 171658469

IUPACN-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-morpholin-4-ylquinolin-4-amine
SMILESCc1c([C@@H](C)Nc2ccnc3ccc(N4CCOCC4)cc23)cccc1C(F)(F)F
InChIInChI=1S/C23H24F3N3O/c1-15-18(4-3-5-20(15)23(24,25)26)16(2)28-22-8-9-27-21-7-6-17(14-19(21)22)29-10-12-30-13-11-29/h3-9,14,16H,10-13H2,1-2H3,(H,27,28)/t16-/m1/s1
InChIKeyQRLPLOKSQHDKGG-MRXNPFEDSA-N
MW415.46 g/mol
LogP5.57
Rot. Bonds4

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

N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-morpholin-4-ylquinolin-4-amine (PubChem CID 171658469) has the molecular formula C23H24F3N3O and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-morpholin-4-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-morpholin-4-ylquinolin-4-amine
PubChem CID171658469
Molecular FormulaC23H24F3N3O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC NameN-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-morpholin-4-ylquinolin-4-amine
SMILESCc1c([C@@H](C)Nc2ccnc3ccc(N4CCOCC4)cc23)cccc1C(F)(F)F
InChIInChI=1S/C23H24F3N3O/c1-15-18(4-3-5-20(15)23(24,25)26)16(2)28-22-8-9-27-21-7-6-17(14-19(21)22)29-10-12-30-13-11-29/h3-9,14,16H,10-13H2,1-2H3,(H,27,28)/t16-/m1/s1
InChIKeyQRLPLOKSQHDKGG-MRXNPFEDSA-N
XLogP5.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-morpholin-4-ylquinolin-4-amine?
The IUPAC name of N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-morpholin-4-ylquinolin-4-amine (CID 171658469) is N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-morpholin-4-ylquinolin-4-amine.
What is the SMILES notation for N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-morpholin-4-ylquinolin-4-amine?
The canonical SMILES for N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-morpholin-4-ylquinolin-4-amine is Cc1c([C@@H](C)Nc2ccnc3ccc(N4CCOCC4)cc23)cccc1C(F)(F)F.
What is the InChIKey of N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-morpholin-4-ylquinolin-4-amine?
The InChIKey is QRLPLOKSQHDKGG-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24F3N3O/c1-15-18(4-3-5-20(15)23(24,25)26)16(2)28-22-8-9-27-21-7-6-17(14-19(21)22)29-10-12-30-13-11-29/h3-9,14,16H,10-13H2,1-2H3,(H,27,28)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-morpholin-4-ylquinolin-4-amine?
N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-morpholin-4-ylquinolin-4-amine has a molecular weight of 415.46 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-morpholin-4-ylquinolin-4-amine is sourced from PubChem (CID 171658469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).