N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine

C18H21F3N2O2 — CID 133402360

IUPACN-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(NCCCOC3CCOCC3)ccnc2c1
InChIInChI=1S/C18H21F3N2O2/c19-18(20,21)13-2-3-15-16(4-8-23-17(15)12-13)22-7-1-9-25-14-5-10-24-11-6-14/h2-4,8,12,14H,1,5-7,9-11H2,(H,22,23)
InChIKeyFWEATWAXIHESAN-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.25
Rot. Bonds6

About N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine

N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 133402360) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine
PubChem CID133402360
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC NameN-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(NCCCOC3CCOCC3)ccnc2c1
InChIInChI=1S/C18H21F3N2O2/c19-18(20,21)13-2-3-15-16(4-8-23-17(15)12-13)22-7-1-9-25-14-5-10-24-11-6-14/h2-4,8,12,14H,1,5-7,9-11H2,(H,22,23)
InChIKeyFWEATWAXIHESAN-UHFFFAOYSA-N
XLogP4.25
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(oxan-4-yloxy)propyl]-2-(trifluoromethyl)pyridin-4-amine
CID 122156197
N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133405255
morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone
CID 164580422
trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine
CID 10625318
4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164580415
2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
CID 133402575
N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
CID 70113412
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine
CID 133404980
4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133448497
N-(2-cyclopentyloxyethyl)quinolin-4-amine
CID 55261266
[1-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]piperidin-4-yl]methanol
CID 133400585

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine (CID 133402360) is N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine is FC(F)(F)c1ccc2c(NCCCOC3CCOCC3)ccnc2c1.
What is the InChIKey of N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is FWEATWAXIHESAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c19-18(20,21)13-2-3-15-16(4-8-23-17(15)12-13)22-7-1-9-25-14-5-10-24-11-6-14/h2-4,8,12,14H,1,5-7,9-11H2,(H,22,23).
What are the key properties of N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine?
N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 354.37 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 133402360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).