N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine

C16H23N3O2 — CID 10589528

IUPACN-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1cc(OC)c2nccc(NCCCN(C)C)c2c1
InChIInChI=1S/C16H23N3O2/c1-19(2)9-5-7-17-14-6-8-18-16-13(14)10-12(20-3)11-15(16)21-4/h6,8,10-11H,5,7,9H2,1-4H3,(H,17,18)
InChIKeyFDIPIIZTNMRTQI-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.62
Rot. Bonds7

About N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine

N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 10589528) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID10589528
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1cc(OC)c2nccc(NCCCN(C)C)c2c1
InChIInChI=1S/C16H23N3O2/c1-19(2)9-5-7-17-14-6-8-18-16-13(14)10-12(20-3)11-15(16)21-4/h6,8,10-11H,5,7,9H2,1-4H3,(H,17,18)
InChIKeyFDIPIIZTNMRTQI-UHFFFAOYSA-N
XLogP2.62
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.62
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

N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82084110
4-N,10-N-bis[3-(dimethylamino)propyl]-6-methyl-1,7-phenanthroline-4,10-diamine
CID 13133598
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368
N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 45483572
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887682
N-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 3799067
N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 86037171
N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
CID 12529748
N-(6-methoxyisoquinolin-1-yl)-N',N'-dimethylbutane-1,4-diamine
CID 106538289
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82093412
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457

Frequently Asked Questions

What is the IUPAC name of N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 10589528) is N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine is COc1cc(OC)c2nccc(NCCCN(C)C)c2c1.
What is the InChIKey of N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is FDIPIIZTNMRTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(2)9-5-7-17-14-6-8-18-16-13(14)10-12(20-3)11-15(16)21-4/h6,8,10-11H,5,7,9H2,1-4H3,(H,17,18).
What are the key properties of N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 289.38 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dimethoxyquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 10589528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).