N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine

C22H35N3O — CID 12529748

IUPACN',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
SMILESCCc1ccnc2c(NCCCCCCN(CC)CC)cc(OC)cc12
InChIInChI=1S/C22H35N3O/c1-5-18-12-14-24-22-20(18)16-19(26-4)17-21(22)23-13-10-8-9-11-15-25(6-2)7-3/h12,14,16-17,23H,5-11,13,15H2,1-4H3
InChIKeyPNLVMSIROMOKRO-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.12
Rot. Bonds12

About N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine

N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine (PubChem CID 12529748) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
PubChem CID12529748
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC NameN',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
SMILESCCc1ccnc2c(NCCCCCCN(CC)CC)cc(OC)cc12
InChIInChI=1S/C22H35N3O/c1-5-18-12-14-24-22-20(18)16-19(26-4)17-21(22)23-13-10-8-9-11-15-25(6-2)7-3/h12,14,16-17,23H,5-11,13,15H2,1-4H3
InChIKeyPNLVMSIROMOKRO-UHFFFAOYSA-N
XLogP5.12
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.12
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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Related Compounds

N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine;4-methylbenzenesulfonic acid
CID 24769161
[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
CID 20979536
N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
CID 20979535
N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride
CID 12618413
1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine
CID 141175869
2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol
CID 12618404
N-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide
CID 131880882
4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine
CID 12529741
8-[5-(diethylamino)pentylamino]-6-hydroxyquinoline-5-carboxamide
CID 58516203
N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 86037171
N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 10589528
N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine
CID 44568394

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine?
The IUPAC name of N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine (CID 12529748) is N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine.
What is the SMILES notation for N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine?
The canonical SMILES for N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine is CCc1ccnc2c(NCCCCCCN(CC)CC)cc(OC)cc12.
What is the InChIKey of N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine?
The InChIKey is PNLVMSIROMOKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-5-18-12-14-24-22-20(18)16-19(26-4)17-21(22)23-13-10-8-9-11-15-25(6-2)7-3/h12,14,16-17,23H,5-11,13,15H2,1-4H3.
What are the key properties of N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine?
N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine has a molecular weight of 357.54 g/mol, XLogP of 5.12, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine is sourced from PubChem (CID 12529748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).