5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine

C17H25N3O — CID 82577852

IUPAC5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(N(C)C)c2c1CCCCN
InChIInChI=1S/C17H25N3O/c1-12-11-15(20(2)3)17-13(7-5-6-10-18)16(21-4)9-8-14(17)19-12/h8-9,11H,5-7,10,18H2,1-4H3
InChIKeyXVLUSERBRZSTAZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.90
Rot. Bonds6

About 5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine

5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine (PubChem CID 82577852) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine.

Molecular Properties

Compound Name5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine
PubChem CID82577852
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(N(C)C)c2c1CCCCN
InChIInChI=1S/C17H25N3O/c1-12-11-15(20(2)3)17-13(7-5-6-10-18)16(21-4)9-8-14(17)19-12/h8-9,11H,5-7,10,18H2,1-4H3
InChIKeyXVLUSERBRZSTAZ-UHFFFAOYSA-N
XLogP2.90
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.90
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

4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde
CID 82573899
5-(aminomethyl)-8-methoxy-N,N,2-trimethylquinolin-4-amine
CID 82573714
4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine
CID 117402236
2-(6-methoxy-2-methylquinolin-5-yl)ethanamine
CID 82575506
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004
3-(6,7-dimethoxy-2-methylquinolin-4-yl)propan-1-amine
CID 82576667
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
CID 84793335
4-(6-fluoro-2,3-dimethoxyphenyl)butan-1-amine
CID 117327075
N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 115201080
4-(2,6-dimethylquinolin-4-yl)butan-1-amine
CID 82577777
N'-(3-bromo-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 115201089
2-(2-aminoethyl)-6-chloro-8-methoxy-N,N,5-trimethylquinolin-4-amine
CID 82251230

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine?
The IUPAC name of 5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine (CID 82577852) is 5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine.
What is the SMILES notation for 5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine?
The canonical SMILES for 5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine is COc1ccc2nc(C)cc(N(C)C)c2c1CCCCN.
What is the InChIKey of 5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine?
The InChIKey is XVLUSERBRZSTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-11-15(20(2)3)17-13(7-5-6-10-18)16(21-4)9-8-14(17)19-12/h8-9,11H,5-7,10,18H2,1-4H3.
What are the key properties of 5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine?
5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine is sourced from PubChem (CID 82577852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).