N',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine

C17H25N3O — CID 10708444

IUPACN',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1ccnc2cc(OC)ccc12
InChIInChI=1S/C17H25N3O/c1-4-20(5-2)12-6-10-18-16-9-11-19-17-13-14(21-3)7-8-15(16)17/h7-9,11,13H,4-6,10,12H2,1-3H3,(H,18,19)
InChIKeyLEVIIHDOQPGTTR-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.39
Rot. Bonds8

About N',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine

N',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine (PubChem CID 10708444) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine
PubChem CID10708444
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1ccnc2cc(OC)ccc12
InChIInChI=1S/C17H25N3O/c1-4-20(5-2)12-6-10-18-16-9-11-19-17-13-14(21-3)7-8-15(16)17/h7-9,11,13H,4-6,10,12H2,1-3H3,(H,18,19)
InChIKeyLEVIIHDOQPGTTR-UHFFFAOYSA-N
XLogP3.39
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine (CID 10708444) is N',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine is CCN(CC)CCCNc1ccnc2cc(OC)ccc12.
What is the InChIKey of N',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine?
The InChIKey is LEVIIHDOQPGTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-20(5-2)12-6-10-18-16-9-11-19-17-13-14(21-3)7-8-15(16)17/h7-9,11,13H,4-6,10,12H2,1-3H3,(H,18,19).
What are the key properties of N',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine?
N',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine has a molecular weight of 287.41 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(7-methoxyquinolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 10708444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).