N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine

C18H24F3N3 — CID 177412301

IUPACN,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
SMILESCCCN(C)CCCN(C)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H24F3N3/c1-4-10-23(2)11-5-12-24(3)17-8-9-22-16-13-14(18(19,20)21)6-7-15(16)17/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyUVMXOARYWXUSPQ-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.42
Rot. Bonds7

About N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine

N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine (PubChem CID 177412301) has the molecular formula C18H24F3N3 and a molecular weight of 339.41 g/mol. Its IUPAC name is N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
PubChem CID177412301
Molecular FormulaC18H24F3N3
Molecular Weight339.41 g/mol
Exact Mass339.19
IUPAC NameN,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
SMILESCCCN(C)CCCN(C)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H24F3N3/c1-4-10-23(2)11-5-12-24(3)17-8-9-22-16-13-14(18(19,20)21)6-7-15(16)17/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyUVMXOARYWXUSPQ-UHFFFAOYSA-N
XLogP4.42
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
CID 177479384
N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133412324
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133413138
N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide
CID 133401846
N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133433816
N-ethyl-N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 123961261
N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133401090
2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 152740170
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
CID 55090859
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine (CID 177412301) is N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine is CCCN(C)CCCN(C)c1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine?
The InChIKey is UVMXOARYWXUSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3/c1-4-10-23(2)11-5-12-24(3)17-8-9-22-16-13-14(18(19,20)21)6-7-15(16)17/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine?
N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine has a molecular weight of 339.41 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 177412301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).