2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol

C19H29N3O2 — CID 12618404

IUPAC2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol
SMILESCOc1cc(NCCCCCCNCCO)c2nccc(C)c2c1
InChIInChI=1S/C19H29N3O2/c1-15-7-10-22-19-17(15)13-16(24-2)14-18(19)21-9-6-4-3-5-8-20-11-12-23/h7,10,13-14,20-21,23H,3-6,8-9,11-12H2,1-2H3
InChIKeyDEEGRHPORAVZTA-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.11
Rot. Bonds11

About 2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol

2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol (PubChem CID 12618404) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol.

Molecular Properties

Compound Name2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol
PubChem CID12618404
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol
SMILESCOc1cc(NCCCCCCNCCO)c2nccc(C)c2c1
InChIInChI=1S/C19H29N3O2/c1-15-7-10-22-19-17(15)13-16(24-2)14-18(19)21-9-6-4-3-5-8-20-11-12-23/h7,10,13-14,20-21,23H,3-6,8-9,11-12H2,1-2H3
InChIKeyDEEGRHPORAVZTA-UHFFFAOYSA-N
XLogP3.11
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol 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

1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine
CID 141175869
[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
CID 20979536
[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl] formate
CID 70431033
N-ethylethanamine;[8-(hexylamino)-6-methoxyquinolin-4-yl]methanol
CID 20979535
N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine;4-methylbenzenesulfonic acid
CID 24769161
2-ethyl-1-[4-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 13077553
N-[6-(4-cyclohexylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
CID 608614
N-[6-(3,4-dihydro-2H-quinoxalin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
CID 590409
6-methoxy-4-methyl-N-[6-[2-methyl-4-(3-methylbutyl)piperazin-1-yl]hexyl]quinolin-8-amine
CID 13077547
N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
CID 12529748
5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
CID 21424700
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol?
The IUPAC name of 2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol (CID 12618404) is 2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol.
What is the SMILES notation for 2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol?
The canonical SMILES for 2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol is COc1cc(NCCCCCCNCCO)c2nccc(C)c2c1.
What is the InChIKey of 2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol?
The InChIKey is DEEGRHPORAVZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-7-10-22-19-17(15)13-16(24-2)14-18(19)21-9-6-4-3-5-8-20-11-12-23/h7,10,13-14,20-21,23H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of 2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol?
2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol has a molecular weight of 331.46 g/mol, XLogP of 3.11, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol is sourced from PubChem (CID 12618404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).