2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine

C12H10ClF3N2O — CID 43752905

IUPAC2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine
SMILESNCC(Oc1ccc(Cl)c2cccnc12)C(F)(F)F
InChIInChI=1S/C12H10ClF3N2O/c13-8-3-4-9(11-7(8)2-1-5-18-11)19-10(6-17)12(14,15)16/h1-5,10H,6,17H2
InChIKeyOWBIDMXEUBXOIL-UHFFFAOYSA-N
MW290.67 g/mol
LogP3.16
Rot. Bonds3

About 2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine

2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine (PubChem CID 43752905) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine
PubChem CID43752905
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine
SMILESNCC(Oc1ccc(Cl)c2cccnc12)C(F)(F)F
InChIInChI=1S/C12H10ClF3N2O/c13-8-3-4-9(11-7(8)2-1-5-18-11)19-10(6-17)12(14,15)16/h1-5,10H,6,17H2
InChIKeyOWBIDMXEUBXOIL-UHFFFAOYSA-N
XLogP3.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chloroquinolin-8-yl)oxypentan-1-amine
CID 54965610
CID 12945983
CID 12945983
[2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine
CID 43314287
5-chloro-8-(6-chlorohexoxy)quinoline
CID 55193642
5-chloro-8-(5-chloropentoxy)quinoline
CID 43348411
2-(5-chloroquinolin-8-yl)oxy-3-oxo-3-propoxypropanoic acid
CID 141334465
[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558658
ethyl 3-(5-chloroquinolin-8-yl)peroxy-2-methyl-3-oxopropanoate
CID 91373215
ethyl 2-[(5-chloroquinolin-8-yl)oxycarbonylamino]acetate
CID 13338827
[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine
CID 82784965
[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine
CID 80507747
1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide
CID 114827717

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine (CID 43752905) is 2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine is NCC(Oc1ccc(Cl)c2cccnc12)C(F)(F)F.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine?
The InChIKey is OWBIDMXEUBXOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O/c13-8-3-4-9(11-7(8)2-1-5-18-11)19-10(6-17)12(14,15)16/h1-5,10H,6,17H2.
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine?
2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine has a molecular weight of 290.67 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43752905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).