N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine

C18H27N3O2 — CID 86037171

IUPACN-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ccnc2cc(OC)c(OC)cc12
InChIInChI=1S/C18H27N3O2/c1-5-21(6-2)11-7-9-19-15-8-10-20-16-13-18(23-4)17(22-3)12-14(15)16/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,19,20)
InChIKeyLYNCXKVXOQROPE-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.40
Rot. Bonds9

About N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine

N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 86037171) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID86037171
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ccnc2cc(OC)c(OC)cc12
InChIInChI=1S/C18H27N3O2/c1-5-21(6-2)11-7-9-19-15-8-10-20-16-13-18(23-4)17(22-3)12-14(15)16/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,19,20)
InChIKeyLYNCXKVXOQROPE-UHFFFAOYSA-N
XLogP3.40
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol
CID 159856965
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
N-(6,7-dimethoxyquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 21002974
N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine
CID 12604276
1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine
CID 167836399
N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine;phosphoric acid
CID 54601191
N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine
CID 78324298
N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride
CID 12618413
2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol
CID 21424705
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
2-[3-[(7-methoxyquinolin-4-yl)amino]propyl-(2-nitrooxyethyl)amino]ethyl nitrate
CID 88828145
N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 45483572

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine (CID 86037171) is N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1ccnc2cc(OC)c(OC)cc12.
What is the InChIKey of N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is LYNCXKVXOQROPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-21(6-2)11-7-9-19-15-8-10-20-16-13-18(23-4)17(22-3)12-14(15)16/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,19,20).
What are the key properties of N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine?
N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 317.43 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 86037171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).