N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine

C16H23N3O — CID 63968924

IUPACN-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine
SMILESCOCCCN(C)C(CN)c1cccc2cccnc12
InChIInChI=1S/C16H23N3O/c1-19(10-5-11-20-2)15(12-17)14-8-3-6-13-7-4-9-18-16(13)14/h3-4,6-9,15H,5,10-12,17H2,1-2H3
InChIKeyGDGWRCSWCRSYLK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.20
Rot. Bonds7

About N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine

N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine (PubChem CID 63968924) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine
PubChem CID63968924
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine
SMILESCOCCCN(C)C(CN)c1cccc2cccnc12
InChIInChI=1S/C16H23N3O/c1-19(10-5-11-20-2)15(12-17)14-8-3-6-13-7-4-9-18-16(13)14/h3-4,6-9,15H,5,10-12,17H2,1-2H3
InChIKeyGDGWRCSWCRSYLK-UHFFFAOYSA-N
XLogP2.20
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.20
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-cyclopropyl-N-(2-methoxyethyl)-1-quinolin-8-ylethane-1,2-diamine
CID 63968305
N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine
CID 63969124
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 55141844
1-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 62984275
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
1-(4-chloro-2-fluorophenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 114843150
3-methyl-2-quinolin-8-ylbutan-1-amine
CID 83886423
1-isoquinolin-4-yl-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 104504092
1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 104816327
1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 66158220
1-[4-(difluoromethoxy)phenyl]-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 62983749
1-(5-chloroquinolin-8-yl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 115959538

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine?
The IUPAC name of N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine (CID 63968924) is N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine.
What is the SMILES notation for N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine?
The canonical SMILES for N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine is COCCCN(C)C(CN)c1cccc2cccnc12.
What is the InChIKey of N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine?
The InChIKey is GDGWRCSWCRSYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19(10-5-11-20-2)15(12-17)14-8-3-6-13-7-4-9-18-16(13)14/h3-4,6-9,15H,5,10-12,17H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine?
N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine is sourced from PubChem (CID 63968924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).