N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine

C19H29N3O — CID 169487817

IUPACN-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCOc1ccc2nc(C)cc(NCCCN(CC)CC)c2c1
InChIInChI=1S/C19H29N3O/c1-5-22(6-2)12-8-11-20-19-13-15(4)21-18-10-9-16(23-7-3)14-17(18)19/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,20,21)
InChIKeyQXNXHSSEHWCBOH-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.09
Rot. Bonds9

About N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine

N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 169487817) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID169487817
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCOc1ccc2nc(C)cc(NCCCN(CC)CC)c2c1
InChIInChI=1S/C19H29N3O/c1-5-22(6-2)12-8-11-20-19-13-15(4)21-18-10-9-16(23-7-3)14-17(18)19/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,20,21)
InChIKeyQXNXHSSEHWCBOH-UHFFFAOYSA-N
XLogP4.09
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.09
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-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
CID 11407724
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
N-ethyl-2-methyl-6-propoxyquinolin-4-amine
CID 55060024
6-ethoxy-2-propan-2-yl-N-propylquinolin-4-amine
CID 63480542
4-methoxy-N-[2-[(6-methoxy-2-methylquinolin-4-yl)amino]ethyl]-N-[3-[(6-methoxy-2-methylquinolin-4-yl)amino]propyl]benzenesulfonamide
CID 58807114
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858
N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487736
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789
N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine
CID 46938137
6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine
CID 169487796
N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 504351

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine (CID 169487817) is N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine is CCOc1ccc2nc(C)cc(NCCCN(CC)CC)c2c1.
What is the InChIKey of N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is QXNXHSSEHWCBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-5-22(6-2)12-8-11-20-19-13-15(4)21-18-10-9-16(23-7-3)14-17(18)19/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,20,21).
What are the key properties of N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine?
N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 315.46 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 169487817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).