2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol

C16H17NO — CID 112740410

IUPAC2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol
SMILESOC1(c2cnc3ccccc3c2)CCCC2CC21
InChIInChI=1S/C16H17NO/c18-16(7-3-5-11-9-14(11)16)13-8-12-4-1-2-6-15(12)17-10-13/h1-2,4,6,8,10-11,14,18H,3,5,7,9H2
InChIKeyMYOCAIDYZOXHTQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.24
Rot. Bonds1

About 2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol

2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol (PubChem CID 112740410) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol
PubChem CID112740410
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol
SMILESOC1(c2cnc3ccccc3c2)CCCC2CC21
InChIInChI=1S/C16H17NO/c18-16(7-3-5-11-9-14(11)16)13-8-12-4-1-2-6-15(12)17-10-13/h1-2,4,6,8,10-11,14,18H,3,5,7,9H2
InChIKeyMYOCAIDYZOXHTQ-UHFFFAOYSA-N
XLogP3.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol?
The IUPAC name of 2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol (CID 112740410) is 2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for 2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for 2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol is OC1(c2cnc3ccccc3c2)CCCC2CC21.
What is the InChIKey of 2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol?
The InChIKey is MYOCAIDYZOXHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-16(7-3-5-11-9-14(11)16)13-8-12-4-1-2-6-15(12)17-10-13/h1-2,4,6,8,10-11,14,18H,3,5,7,9H2.
What are the key properties of 2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol?
2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 112740410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).