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

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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).