1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine

C19H26F3N3O — CID 46888974

IUPAC1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccnc2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C19H26F3N3O/c1-4-25(5-2)12-6-7-14(3)24-17-10-11-23-18-13-15(8-9-16(17)18)26-19(20,21)22/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,24)
InChIKeyVXRYQXITUHHEHO-UHFFFAOYSA-N
MW369.43 g/mol
LogP5.06
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine (PubChem CID 46888974) has the molecular formula C19H26F3N3O and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine
PubChem CID46888974
Molecular FormulaC19H26F3N3O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC Name1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccnc2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C19H26F3N3O/c1-4-25(5-2)12-6-7-14(3)24-17-10-11-23-18-13-15(8-9-16(17)18)26-19(20,21)22/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,24)
InChIKeyVXRYQXITUHHEHO-UHFFFAOYSA-N
XLogP5.06
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine (CID 46888974) is 1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1ccnc2cc(OC(F)(F)F)ccc12.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine?
The InChIKey is VXRYQXITUHHEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O/c1-4-25(5-2)12-6-7-14(3)24-17-10-11-23-18-13-15(8-9-16(17)18)26-19(20,21)22/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,24).
What are the key properties of 1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine has a molecular weight of 369.43 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[7-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine is sourced from PubChem (CID 46888974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).