2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol

C16H20FN3O — CID 83166348

IUPAC2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1cc(F)c(NCC2CCCCC2O)c2ncccc12
InChIInChI=1S/C16H20FN3O/c17-12-8-13(18)11-5-3-7-19-15(11)16(12)20-9-10-4-1-2-6-14(10)21/h3,5,7-8,10,14,20-21H,1-2,4,6,9,18H2
InChIKeyXMLMDTQTGIQYLL-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.92
Rot. Bonds3

About 2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol

2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 83166348) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol
PubChem CID83166348
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1cc(F)c(NCC2CCCCC2O)c2ncccc12
InChIInChI=1S/C16H20FN3O/c17-12-8-13(18)11-5-3-7-19-15(11)16(12)20-9-10-4-1-2-6-14(10)21/h3,5,7-8,10,14,20-21H,1-2,4,6,9,18H2
InChIKeyXMLMDTQTGIQYLL-UHFFFAOYSA-N
XLogP2.92
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclobutan-1-ol
CID 83164807
3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclopentan-1-ol
CID 106119511
7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine
CID 83165675
7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine
CID 83165841
3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one
CID 83165156
7-fluoro-8-N-(4,4,4-trifluorobutyl)quinoline-5,8-diamine
CID 83166181
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141
8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine
CID 83166347
3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol
CID 106183325
7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
CID 106327998
7-fluoro-8-N-(3-methylsulfanylpropyl)quinoline-5,8-diamine
CID 83164465
3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099576

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol (CID 83166348) is 2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol is Nc1cc(F)c(NCC2CCCCC2O)c2ncccc12.
What is the InChIKey of 2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XMLMDTQTGIQYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-12-8-13(18)11-5-3-7-19-15(11)16(12)20-9-10-4-1-2-6-14(10)21/h3,5,7-8,10,14,20-21H,1-2,4,6,9,18H2.
What are the key properties of 2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol?
2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 289.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 83166348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).