1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine

C16H22FN3 — CID 10778800

IUPAC1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1ccnc2cc(F)ccc12
InChIInChI=1S/C16H22FN3/c1-4-20(5-2)11-12(3)19-15-8-9-18-16-10-13(17)6-7-14(15)16/h6-10,12H,4-5,11H2,1-3H3,(H,18,19)
InChIKeySJYILMWYZZAYRX-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.52
Rot. Bonds6

About 1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine

1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine (PubChem CID 10778800) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine
PubChem CID10778800
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1ccnc2cc(F)ccc12
InChIInChI=1S/C16H22FN3/c1-4-20(5-2)11-12(3)19-15-8-9-18-16-10-13(17)6-7-14(15)16/h6-10,12H,4-5,11H2,1-3H3,(H,18,19)
InChIKeySJYILMWYZZAYRX-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate
CID 133407100
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid
CID 122050192
1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine
CID 170239569
7-fluoro-N-(3-propan-2-yloxypropyl)quinolin-4-amine
CID 133381963
2-[4-[(7-fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol
CID 167200255
7-fluoro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]quinolin-4-amine
CID 133307189
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
CID 178050529
1-N,1-N-diethyl-2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 115594916
ethane;7-fluoro-4-methylquinoline
CID 142037193
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine (CID 10778800) is 1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine is CCN(CC)CC(C)Nc1ccnc2cc(F)ccc12.
What is the InChIKey of 1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine?
The InChIKey is SJYILMWYZZAYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-20(5-2)11-12(3)19-15-8-9-18-16-10-13(17)6-7-14(15)16/h6-10,12H,4-5,11H2,1-3H3,(H,18,19).
What are the key properties of 1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine?
1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine has a molecular weight of 275.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 10778800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).