N-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine

C21H17F6N3O — CID 86766835

IUPACN-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1cc(Nc2ccc([C@H]3CNCCO3)cc2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C21H17F6N3O/c22-20(23,24)15-3-1-2-14-16(10-18(21(25,26)27)30-19(14)15)29-13-6-4-12(5-7-13)17-11-28-8-9-31-17/h1-7,10,17,28H,8-9,11H2,(H,29,30)/t17-/m1/s1
InChIKeyQUYPOJVMIOXNIA-QGZVFWFLSA-N
MW441.38 g/mol
LogP5.68
Rot. Bonds3

About N-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine

N-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine (PubChem CID 86766835) has the molecular formula C21H17F6N3O and a molecular weight of 441.38 g/mol. Its IUPAC name is N-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine
PubChem CID86766835
Molecular FormulaC21H17F6N3O
Molecular Weight441.38 g/mol
Exact Mass441.13
IUPAC NameN-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1cc(Nc2ccc([C@H]3CNCCO3)cc2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C21H17F6N3O/c22-20(23,24)15-3-1-2-14-16(10-18(21(25,26)27)30-19(14)15)29-13-6-4-12(5-7-13)17-11-28-8-9-31-17/h1-7,10,17,28H,8-9,11H2,(H,29,30)/t17-/m1/s1
InChIKeyQUYPOJVMIOXNIA-QGZVFWFLSA-N
XLogP5.68
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.38
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine (CID 86766835) is N-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine is FC(F)(F)c1cc(Nc2ccc([C@H]3CNCCO3)cc2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of N-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine?
The InChIKey is QUYPOJVMIOXNIA-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H17F6N3O/c22-20(23,24)15-3-1-2-14-16(10-18(21(25,26)27)30-19(14)15)29-13-6-4-12(5-7-13)17-11-28-8-9-31-17/h1-7,10,17,28H,8-9,11H2,(H,29,30)/t17-/m1/s1.
What are the key properties of N-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine?
N-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine has a molecular weight of 441.38 g/mol, XLogP of 5.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-morpholin-2-yl]phenyl]-2,8-bis(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 86766835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).