6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine

C27H44N4O — CID 13077547

IUPAC6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine
SMILESCOc1cc(NCCCCCCN2CCN(CCC(C)C)CC2C)c2nccc(C)c2c1
InChIInChI=1S/C27H44N4O/c1-21(2)11-15-30-16-17-31(23(4)20-30)14-9-7-6-8-12-28-26-19-24(32-5)18-25-22(3)10-13-29-27(25)26/h10,13,18-19,21,23,28H,6-9,11-12,14-17,20H2,1-5H3
InChIKeyRAAKEEBXYAAUGA-UHFFFAOYSA-N
MW440.68 g/mol
LogP5.58
Rot. Bonds12

About 6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine

6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine (PubChem CID 13077547) has the molecular formula C27H44N4O and a molecular weight of 440.68 g/mol. Its IUPAC name is 6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine.

Molecular Properties

Compound Name6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine
PubChem CID13077547
Molecular FormulaC27H44N4O
Molecular Weight440.68 g/mol
Exact Mass440.35
IUPAC Name6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine
SMILESCOc1cc(NCCCCCCN2CCN(CCC(C)C)CC2C)c2nccc(C)c2c1
InChIInChI=1S/C27H44N4O/c1-21(2)11-15-30-16-17-31(23(4)20-30)14-9-7-6-8-12-28-26-19-24(32-5)18-25-22(3)10-13-29-27(25)26/h10,13,18-19,21,23,28H,6-9,11-12,14-17,20H2,1-5H3
InChIKeyRAAKEEBXYAAUGA-UHFFFAOYSA-N
XLogP5.58
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.68
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
CID 608614
[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate
CID 70431033
2-ethyl-1-[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 13077553
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-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
CID 590409
N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine;4-methylbenzenesulfonic acid
CID 24769161
1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol
CID 86741428
[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
CID 20979536
N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
CID 12529748
N-(6-methoxy-4-methylquinolin-8-yl)-5-oxohexanamide
CID 540519
N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
CID 20979535

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine?
The IUPAC name of 6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine (CID 13077547) is 6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine.
What is the SMILES notation for 6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine?
The canonical SMILES for 6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine is COc1cc(NCCCCCCN2CCN(CCC(C)C)CC2C)c2nccc(C)c2c1.
What is the InChIKey of 6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine?
The InChIKey is RAAKEEBXYAAUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N4O/c1-21(2)11-15-30-16-17-31(23(4)20-30)14-9-7-6-8-12-28-26-19-24(32-5)18-25-22(3)10-13-29-27(25)26/h10,13,18-19,21,23,28H,6-9,11-12,14-17,20H2,1-5H3.
What are the key properties of 6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine?
6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine has a molecular weight of 440.68 g/mol, XLogP of 5.58, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine is sourced from PubChem (CID 13077547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).