N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine

C16H20F3N3 — CID 10662815

IUPACN',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H20F3N3/c1-3-22(4-2)10-9-21-14-7-8-20-15-11-12(16(17,18)19)5-6-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,21)
InChIKeyNVSLNNKQKJTRQW-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.01
Rot. Bonds6

About N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine

N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine (PubChem CID 10662815) has the molecular formula C16H20F3N3 and a molecular weight of 311.35 g/mol. Its IUPAC name is N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine
PubChem CID10662815
Molecular FormulaC16H20F3N3
Molecular Weight311.35 g/mol
Exact Mass311.16
IUPAC NameN',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H20F3N3/c1-3-22(4-2)10-9-21-14-7-8-20-15-11-12(16(17,18)19)5-6-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,21)
InChIKeyNVSLNNKQKJTRQW-UHFFFAOYSA-N
XLogP4.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine (CID 10662815) is N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine is CCN(CC)CCNc1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine?
The InChIKey is NVSLNNKQKJTRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3/c1-3-22(4-2)10-9-21-14-7-8-20-15-11-12(16(17,18)19)5-6-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,21).
What are the key properties of N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine?
N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine has a molecular weight of 311.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 10662815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).