quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone

C17H17NOS — CID 171941860

IUPACquinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1ccc2cccnc2c1)C1CC2CCC(C1)S2
InChIInChI=1S/C17H17NOS/c19-17(13-8-14-5-6-15(9-13)20-14)12-4-3-11-2-1-7-18-16(11)10-12/h1-4,7,10,13-15H,5-6,8-9H2
InChIKeyIQBOKFDYUICBLH-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.09
Rot. Bonds2

About quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone

quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171941860) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Namequinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171941860
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Namequinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1ccc2cccnc2c1)C1CC2CCC(C1)S2
InChIInChI=1S/C17H17NOS/c19-17(13-8-14-5-6-15(9-13)20-14)12-4-3-11-2-1-7-18-16(11)10-12/h1-4,7,10,13-15H,5-6,8-9H2
InChIKeyIQBOKFDYUICBLH-UHFFFAOYSA-N
XLogP4.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-quinolin-7-ylmethanone
CID 171941871
pyrrolidin-3-yl(quinolin-7-yl)methanone
CID 116568273
(4-propylcyclohexyl)-quinolin-7-ylmethanone
CID 81197348
(2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171943402
(1-aminocyclopentyl)-quinolin-7-ylmethanone
CID 116558749
1-benzothiophen-2-yl(quinolin-7-yl)methanone
CID 115791003
[5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone
CID 116589113
benzyl 7-(quinoline-7-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171941877
quinolin-7-yl quinoline-7-carboxylate
CID 142797869
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
CID 116560118
quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171942180
1-quinolin-7-ylprop-2-en-1-one
CID 103453564

Frequently Asked Questions

What is the IUPAC name of quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone (CID 171941860) is quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1ccc2cccnc2c1)C1CC2CCC(C1)S2.
What is the InChIKey of quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is IQBOKFDYUICBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c19-17(13-8-14-5-6-15(9-13)20-14)12-4-3-11-2-1-7-18-16(11)10-12/h1-4,7,10,13-15H,5-6,8-9H2.
What are the key properties of quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 283.40 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171941860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).