6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol

C16H21FN2O — CID 133434482

IUPAC6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
SMILESCc1cc(NCCCCCCO)c2cccc(F)c2n1
InChIInChI=1S/C16H21FN2O/c1-12-11-15(18-9-4-2-3-5-10-20)13-7-6-8-14(17)16(13)19-12/h6-8,11,20H,2-5,9-10H2,1H3,(H,18,19)
InChIKeyHCNPTHYZYBTQDL-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.65
Rot. Bonds7

About 6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol

6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol (PubChem CID 133434482) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
PubChem CID133434482
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
SMILESCc1cc(NCCCCCCO)c2cccc(F)c2n1
InChIInChI=1S/C16H21FN2O/c1-12-11-15(18-9-4-2-3-5-10-20)13-7-6-8-14(17)16(13)19-12/h6-8,11,20H,2-5,9-10H2,1H3,(H,18,19)
InChIKeyHCNPTHYZYBTQDL-UHFFFAOYSA-N
XLogP3.65
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-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

Frequently Asked Questions

What is the IUPAC name of 6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol (CID 133434482) is 6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol is Cc1cc(NCCCCCCO)c2cccc(F)c2n1.
What is the InChIKey of 6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol?
The InChIKey is HCNPTHYZYBTQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-12-11-15(18-9-4-2-3-5-10-20)13-7-6-8-14(17)16(13)19-12/h6-8,11,20H,2-5,9-10H2,1H3,(H,18,19).
What are the key properties of 6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol?
6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol has a molecular weight of 276.36 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 133434482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).