2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol

C16H19FN2O — CID 102677075

IUPAC2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol
SMILESOCCN(Cc1cc(F)cc2cccnc12)C1CCC1
InChIInChI=1S/C16H19FN2O/c17-14-9-12-3-2-6-18-16(12)13(10-14)11-19(7-8-20)15-4-1-5-15/h2-3,6,9-10,15,20H,1,4-5,7-8,11H2
InChIKeyYDVVYKDIHVRSRR-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.72
Rot. Bonds5

About 2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol

2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol (PubChem CID 102677075) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol
PubChem CID102677075
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol
SMILESOCCN(Cc1cc(F)cc2cccnc12)C1CCC1
InChIInChI=1S/C16H19FN2O/c17-14-9-12-3-2-6-18-16(12)13(10-14)11-19(7-8-20)15-4-1-5-15/h2-3,6,9-10,15,20H,1,4-5,7-8,11H2
InChIKeyYDVVYKDIHVRSRR-UHFFFAOYSA-N
XLogP2.72
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(quinolin-8-ylmethyl)amino]ethanol
CID 60912446
2-[cyclopropyl(quinolin-8-ylmethyl)amino]ethanol
CID 60510570
3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
CID 102848366
N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine
CID 63300526
2-[cyclopentyl(quinolin-6-ylmethyl)amino]ethanol
CID 62015236
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 62895827
2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
CID 102676798
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbothioamide
CID 62893452
2-[cyclobutyl(naphthalen-1-ylmethyl)amino]ethanol
CID 102677069
2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648296
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol (CID 102677075) is 2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol is OCCN(Cc1cc(F)cc2cccnc12)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol?
The InChIKey is YDVVYKDIHVRSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-14-9-12-3-2-6-18-16(12)13(10-14)11-19(7-8-20)15-4-1-5-15/h2-3,6,9-10,15,20H,1,4-5,7-8,11H2.
What are the key properties of 2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol?
2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol has a molecular weight of 274.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol is sourced from PubChem (CID 102677075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).