N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H13ClF3N3 — CID 107494340

IUPACN'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H13ClF3N3/c14-9-1-2-10-11(7-9)19-5-3-12(10)20(6-4-18)8-13(15,16)17/h1-3,5,7H,4,6,8,18H2
InChIKeyUSBMLTVSPQMCTA-UHFFFAOYSA-N
MW303.71 g/mol
LogP3.22
Rot. Bonds4

About N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494340) has the molecular formula C13H13ClF3N3 and a molecular weight of 303.71 g/mol. Its IUPAC name is N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494340
Molecular FormulaC13H13ClF3N3
Molecular Weight303.71 g/mol
Exact Mass303.08
IUPAC NameN'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H13ClF3N3/c14-9-1-2-10-11(7-9)19-5-3-12(10)20(6-4-18)8-13(15,16)17/h1-3,5,7H,4,6,8,18H2
InChIKeyUSBMLTVSPQMCTA-UHFFFAOYSA-N
XLogP3.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine with MolForge

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Related Compounds

2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484431
N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine
CID 57117786
N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine
CID 102874825
N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine
CID 66921220
N'-(7-chloroquinolin-4-yl)-N'-cyclopentylethane-1,2-diamine
CID 62586557
N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 87205570
N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 60869676
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide
CID 87205560
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494164
N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494336

Frequently Asked Questions

What is the IUPAC name of N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494340) is N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(CC(F)(F)F)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is USBMLTVSPQMCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3/c14-9-1-2-10-11(7-9)19-5-3-12(10)20(6-4-18)8-13(15,16)17/h1-3,5,7H,4,6,8,18H2.
What are the key properties of N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 303.71 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).