3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol

C16H18F2N2O — CID 177146065

IUPAC3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol
SMILESOC1CCCC(F)C1NCc1cc2cccnc2cc1F
InChIInChI=1S/C16H18F2N2O/c17-12-4-1-5-15(21)16(12)20-9-11-7-10-3-2-6-19-14(10)8-13(11)18/h2-3,6-8,12,15-16,20-21H,1,4-5,9H2
InChIKeyZOKJAJIHUPMJDS-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.71
Rot. Bonds3

About 3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol

3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol (PubChem CID 177146065) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol
PubChem CID177146065
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol
SMILESOC1CCCC(F)C1NCc1cc2cccnc2cc1F
InChIInChI=1S/C16H18F2N2O/c17-12-4-1-5-15(21)16(12)20-9-11-7-10-3-2-6-19-14(10)8-13(11)18/h2-3,6-8,12,15-16,20-21H,1,4-5,9H2
InChIKeyZOKJAJIHUPMJDS-UHFFFAOYSA-N
XLogP2.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-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

2-fluoro-N-[(7-fluoroquinolin-6-yl)methyl]cyclohexan-1-amine;imidazo[1,2-a]pyridin-8-ylmethanamine
CID 177146005
1-[(7-fluoroquinolin-6-yl)methyl]-2-phenylhydrazine
CID 169385532
ethane;6-ethyl-7-fluoroquinoline
CID 142320503
3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962848
2-quinolin-6-ylcyclohexan-1-ol
CID 81223909
3-(quinolin-8-ylmethylamino)cyclohexan-1-ol
CID 43751062
2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol
CID 13375385
7-fluoroquinoline-6-carboxylic acid
CID 77174821
3-(7-fluoroquinolin-6-yl)-9λ4-thiabicyclo[3.3.1]non-2-ene 9-oxide
CID 171974363
3-quinolin-7-ylcycloheptan-1-ol
CID 81221392
N-(quinolin-7-ylmethyl)cyclopropanamine
CID 78921001
N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 155149959

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol (CID 177146065) is 3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol is OC1CCCC(F)C1NCc1cc2cccnc2cc1F.
What is the InChIKey of 3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol?
The InChIKey is ZOKJAJIHUPMJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c17-12-4-1-5-15(21)16(12)20-9-11-7-10-3-2-6-19-14(10)8-13(11)18/h2-3,6-8,12,15-16,20-21H,1,4-5,9H2.
What are the key properties of 3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol?
3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol has a molecular weight of 292.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(7-fluoroquinolin-6-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 177146065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).