(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone

C17H17NO2S — CID 171941788

IUPAC(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)C1CC2CCC(C1)S2=O
InChIInChI=1S/C17H17NO2S/c19-17(11-9-12-6-7-13(10-11)21(12)20)15-3-1-5-16-14(15)4-2-8-18-16/h1-5,8,11-13H,6-7,9-10H2
InChIKeyLCCNKSUBEUXINY-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.11
Rot. Bonds2

About (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone

(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone (PubChem CID 171941788) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone
PubChem CID171941788
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC Name(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)C1CC2CCC(C1)S2=O
InChIInChI=1S/C17H17NO2S/c19-17(11-9-12-6-7-13(10-11)21(12)20)15-3-1-5-16-14(15)4-2-8-18-16/h1-5,8,11-13H,6-7,9-10H2
InChIKeyLCCNKSUBEUXINY-UHFFFAOYSA-N
XLogP3.11
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone
CID 171941789
(2-methyl-3-pyridinyl)-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171950396
piperidin-3-yl(quinolin-5-yl)methanone
CID 116548060
8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone
CID 171941811
(6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171950338
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
2-(cyclopentylamino)-1-quinolin-5-ylethanone
CID 116559111
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-quinolin-4-ylmethanone
CID 171941825
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780

Frequently Asked Questions

What is the IUPAC name of (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone?
The IUPAC name of (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone (CID 171941788) is (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone.
What is the SMILES notation for (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone?
The canonical SMILES for (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone is O=C(c1cccc2ncccc12)C1CC2CCC(C1)S2=O.
What is the InChIKey of (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone?
The InChIKey is LCCNKSUBEUXINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-17(11-9-12-6-7-13(10-11)21(12)20)15-3-1-5-16-14(15)4-2-8-18-16/h1-5,8,11-13H,6-7,9-10H2.
What are the key properties of (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone?
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone has a molecular weight of 299.39 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone is sourced from PubChem (CID 171941788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).