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

C16H21FN2O — CID 133434438

IUPAC6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
SMILESCc1cc(NCCCCCCO)c2cc(F)ccc2n1
InChIInChI=1S/C16H21FN2O/c1-12-10-16(18-8-4-2-3-5-9-20)14-11-13(17)6-7-15(14)19-12/h6-7,10-11,20H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyRLKAIFSKANKHGX-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.65
Rot. Bonds7

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

6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol (PubChem CID 133434438) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
PubChem CID133434438
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
SMILESCc1cc(NCCCCCCO)c2cc(F)ccc2n1
InChIInChI=1S/C16H21FN2O/c1-12-10-16(18-8-4-2-3-5-9-20)14-11-13(17)6-7-15(14)19-12/h6-7,10-11,20H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyRLKAIFSKANKHGX-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'}

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Related Compounds

6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
CID 133434482
N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine
CID 133368446
6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine
CID 133369297
4-(hexylamino)-2-methylquinolin-6-ol
CID 22417914
2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol
CID 133368202
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
2-[(6-chloro-2-methylquinolin-4-yl)amino]ethanol
CID 155175469
1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol
CID 133388853
N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
CID 11407724
6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine
CID 133394297
1-[(6-fluoro-2-methylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 133394039
N,N'-bis(6-butyl-2-methylquinolin-4-yl)butane-1,4-diamine
CID 58807116

Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol (CID 133434438) is 6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol is Cc1cc(NCCCCCCO)c2cc(F)ccc2n1.
What is the InChIKey of 6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol?
The InChIKey is RLKAIFSKANKHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-12-10-16(18-8-4-2-3-5-9-20)14-11-13(17)6-7-15(14)19-12/h6-7,10-11,20H,2-5,8-9H2,1H3,(H,18,19).
What are the key properties of 6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol?
6-[(6-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-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 133434438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).