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

C17H25N3O — CID 10850850

IUPAC1-N,1-N-diethyl-2-N-(7-methoxyquinolin-4-yl)propane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1ccnc2cc(OC)ccc12
InChIInChI=1S/C17H25N3O/c1-5-20(6-2)12-13(3)19-16-9-10-18-17-11-14(21-4)7-8-15(16)17/h7-11,13H,5-6,12H2,1-4H3,(H,18,19)
InChIKeyYUSKOTBTXMVONG-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.39
Rot. Bonds7

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

1-N,1-N-diethyl-2-N-(7-methoxyquinolin-4-yl)propane-1,2-diamine (PubChem CID 10850850) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-(7-methoxyquinolin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-(7-methoxyquinolin-4-yl)propane-1,2-diamine
PubChem CID10850850
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-N,1-N-diethyl-2-N-(7-methoxyquinolin-4-yl)propane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1ccnc2cc(OC)ccc12
InChIInChI=1S/C17H25N3O/c1-5-20(6-2)12-13(3)19-16-9-10-18-17-11-14(21-4)7-8-15(16)17/h7-11,13H,5-6,12H2,1-4H3,(H,18,19)
InChIKeyYUSKOTBTXMVONG-UHFFFAOYSA-N
XLogP3.39
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.39
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-2-N-(7-methoxyquinolin-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-(7-methoxyquinolin-4-yl)propane-1,2-diamine (CID 10850850) is 1-N,1-N-diethyl-2-N-(7-methoxyquinolin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-(7-methoxyquinolin-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-(7-methoxyquinolin-4-yl)propane-1,2-diamine is CCN(CC)CC(C)Nc1ccnc2cc(OC)ccc12.
What is the InChIKey of 1-N,1-N-diethyl-2-N-(7-methoxyquinolin-4-yl)propane-1,2-diamine?
The InChIKey is YUSKOTBTXMVONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-20(6-2)12-13(3)19-16-9-10-18-17-11-14(21-4)7-8-15(16)17/h7-11,13H,5-6,12H2,1-4H3,(H,18,19).
What are the key properties of 1-N,1-N-diethyl-2-N-(7-methoxyquinolin-4-yl)propane-1,2-diamine?
1-N,1-N-diethyl-2-N-(7-methoxyquinolin-4-yl)propane-1,2-diamine has a molecular weight of 287.41 g/mol, XLogP of 3.39, 7 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-2-N-(7-methoxyquinolin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 10850850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).