8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone

C17H17NO2 — CID 171941811

IUPAC8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone
SMILESO=C(c1ccnc2ccccc12)C1CC2CCC(C1)O2
InChIInChI=1S/C17H17NO2/c19-17(11-9-12-5-6-13(10-11)20-12)15-7-8-18-16-4-2-1-3-14(15)16/h1-4,7-8,11-13H,5-6,9-10H2
InChIKeyAULQBLKXWDQLRL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.38
Rot. Bonds2

About 8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone

8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone (PubChem CID 171941811) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone.

Molecular Properties

Compound Name8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone
PubChem CID171941811
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone
SMILESO=C(c1ccnc2ccccc12)C1CC2CCC(C1)O2
InChIInChI=1S/C17H17NO2/c19-17(11-9-12-5-6-13(10-11)20-12)15-7-8-18-16-4-2-1-3-14(15)16/h1-4,7-8,11-13H,5-6,9-10H2
InChIKeyAULQBLKXWDQLRL-UHFFFAOYSA-N
XLogP3.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone?
The IUPAC name of 8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone (CID 171941811) is 8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone.
What is the SMILES notation for 8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone?
The canonical SMILES for 8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone is O=C(c1ccnc2ccccc12)C1CC2CCC(C1)O2.
What is the InChIKey of 8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone?
The InChIKey is AULQBLKXWDQLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(11-9-12-5-6-13(10-11)20-12)15-7-8-18-16-4-2-1-3-14(15)16/h1-4,7-8,11-13H,5-6,9-10H2.
What are the key properties of 8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone?
8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone is sourced from PubChem (CID 171941811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).