5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol

C17H24N2O3 — CID 46982338

IUPAC5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol
SMILESCOc1cc2nc(NCCCCCO)cc(C)c2cc1OC
InChIInChI=1S/C17H24N2O3/c1-12-9-17(18-7-5-4-6-8-20)19-14-11-16(22-3)15(21-2)10-13(12)14/h9-11,20H,4-8H2,1-3H3,(H,18,19)
InChIKeyQGAZTJSTPDHPDG-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.13
Rot. Bonds8

About 5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol

5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol (PubChem CID 46982338) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol
PubChem CID46982338
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol
SMILESCOc1cc2nc(NCCCCCO)cc(C)c2cc1OC
InChIInChI=1S/C17H24N2O3/c1-12-9-17(18-7-5-4-6-8-20)19-14-11-16(22-3)15(21-2)10-13(12)14/h9-11,20H,4-8H2,1-3H3,(H,18,19)
InChIKeyQGAZTJSTPDHPDG-UHFFFAOYSA-N
XLogP3.13
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol 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

3-(6,7-dimethoxy-4-methylquinolin-2-yl)propan-1-ol
CID 70764320
4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol
CID 115217429
6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol
CID 114053267
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine
CID 31196496
methyl 4-(6-hydroxyhexylamino)-6-methylpyrimidine-2-carboxylate
CID 107848843
1-(6,7-dimethoxy-4-methylquinolin-2-yl)ethanol
CID 82576000
6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855289
6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 114009544
5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324238
6-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852
2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol
CID 57342964
6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid
CID 22693111

Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol (CID 46982338) is 5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol is COc1cc2nc(NCCCCCO)cc(C)c2cc1OC.
What is the InChIKey of 5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol?
The InChIKey is QGAZTJSTPDHPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-9-17(18-7-5-4-6-8-20)19-14-11-16(22-3)15(21-2)10-13(12)14/h9-11,20H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol?
5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol has a molecular weight of 304.39 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 46982338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).