cycloheptyl(quinoxalin-5-yl)methanol

C16H20N2O — CID 105122139

IUPACcycloheptyl(quinoxalin-5-yl)methanol
SMILESOC(c1cccc2nccnc12)C1CCCCCC1
InChIInChI=1S/C16H20N2O/c19-16(12-6-3-1-2-4-7-12)13-8-5-9-14-15(13)18-11-10-17-14/h5,8-12,16,19H,1-4,6-7H2
InChIKeySXKVIDQURWTHFT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.63
Rot. Bonds2

About cycloheptyl(quinoxalin-5-yl)methanol

cycloheptyl(quinoxalin-5-yl)methanol (PubChem CID 105122139) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is cycloheptyl(quinoxalin-5-yl)methanol.

Molecular Properties

Compound Namecycloheptyl(quinoxalin-5-yl)methanol
PubChem CID105122139
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Namecycloheptyl(quinoxalin-5-yl)methanol
SMILESOC(c1cccc2nccnc12)C1CCCCCC1
InChIInChI=1S/C16H20N2O/c19-16(12-6-3-1-2-4-7-12)13-8-5-9-14-15(13)18-11-10-17-14/h5,8-12,16,19H,1-4,6-7H2
InChIKeySXKVIDQURWTHFT-UHFFFAOYSA-N
XLogP3.63
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-quinoxalin-5-ylethanamine
CID 105135471
1-cyclopropyl-N-methyl-1-quinoxalin-5-ylmethanamine
CID 105157235
1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol
CID 103459285
cyclohexyl-(2-phenyl-3-pyridinyl)methanol;hydrochloride
CID 67682911
1-cyclohexyl-2-quinolin-8-ylethane-1,2-diol
CID 103459066
(5-bromoquinolin-8-yl)-cyclopentylmethanol
CID 112618124
1-quinoxalin-5-ylprop-2-yn-1-ol
CID 105106188
(4-ethylcyclohexyl)-quinoxalin-5-ylmethanamine
CID 105155175
1-quinoxalin-5-ylbut-3-en-1-ol
CID 105081692
cyclohexyl(pyrimidin-2-yl)methanol
CID 60798580
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
N-(quinoxalin-5-ylmethyl)cycloheptanamine
CID 104614220

Frequently Asked Questions

What is the IUPAC name of cycloheptyl(quinoxalin-5-yl)methanol?
The IUPAC name of cycloheptyl(quinoxalin-5-yl)methanol (CID 105122139) is cycloheptyl(quinoxalin-5-yl)methanol.
What is the SMILES notation for cycloheptyl(quinoxalin-5-yl)methanol?
The canonical SMILES for cycloheptyl(quinoxalin-5-yl)methanol is OC(c1cccc2nccnc12)C1CCCCCC1.
What is the InChIKey of cycloheptyl(quinoxalin-5-yl)methanol?
The InChIKey is SXKVIDQURWTHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16(12-6-3-1-2-4-7-12)13-8-5-9-14-15(13)18-11-10-17-14/h5,8-12,16,19H,1-4,6-7H2.
What are the key properties of cycloheptyl(quinoxalin-5-yl)methanol?
cycloheptyl(quinoxalin-5-yl)methanol has a molecular weight of 256.35 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(quinoxalin-5-yl)methanol is sourced from PubChem (CID 105122139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).