3-quinolin-7-ylcycloheptan-1-ol

C16H19NO — CID 81221392

IUPAC3-quinolin-7-ylcycloheptan-1-ol
SMILESOC1CCCCC(c2ccc3cccnc3c2)C1
InChIInChI=1S/C16H19NO/c18-15-6-2-1-4-13(10-15)14-8-7-12-5-3-9-17-16(12)11-14/h3,5,7-9,11,13,15,18H,1-2,4,6,10H2
InChIKeyMIZBVOVMTNBLLT-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.64
Rot. Bonds1

About 3-quinolin-7-ylcycloheptan-1-ol

3-quinolin-7-ylcycloheptan-1-ol (PubChem CID 81221392) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-quinolin-7-ylcycloheptan-1-ol.

Molecular Properties

Compound Name3-quinolin-7-ylcycloheptan-1-ol
PubChem CID81221392
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-quinolin-7-ylcycloheptan-1-ol
SMILESOC1CCCCC(c2ccc3cccnc3c2)C1
InChIInChI=1S/C16H19NO/c18-15-6-2-1-4-13(10-15)14-8-7-12-5-3-9-17-16(12)11-14/h3,5,7-9,11,13,15,18H,1-2,4,6,10H2
InChIKeyMIZBVOVMTNBLLT-UHFFFAOYSA-N
XLogP3.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-7-ylcycloheptan-1-ol?
The IUPAC name of 3-quinolin-7-ylcycloheptan-1-ol (CID 81221392) is 3-quinolin-7-ylcycloheptan-1-ol.
What is the SMILES notation for 3-quinolin-7-ylcycloheptan-1-ol?
The canonical SMILES for 3-quinolin-7-ylcycloheptan-1-ol is OC1CCCCC(c2ccc3cccnc3c2)C1.
What is the InChIKey of 3-quinolin-7-ylcycloheptan-1-ol?
The InChIKey is MIZBVOVMTNBLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c18-15-6-2-1-4-13(10-15)14-8-7-12-5-3-9-17-16(12)11-14/h3,5,7-9,11,13,15,18H,1-2,4,6,10H2.
What are the key properties of 3-quinolin-7-ylcycloheptan-1-ol?
3-quinolin-7-ylcycloheptan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-7-ylcycloheptan-1-ol is sourced from PubChem (CID 81221392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).