5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one

C17H19ClN2OS — CID 58762868

IUPAC5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one
SMILESCN1[C@@H]2CC[C@H]1CC(Sc1ccc3[nH]c(=O)ccc3c1Cl)C2
InChIInChI=1S/C17H19ClN2OS/c1-20-10-2-3-11(20)9-12(8-10)22-15-6-5-14-13(17(15)18)4-7-16(21)19-14/h4-7,10-12H,2-3,8-9H2,1H3,(H,19,21)/t10-,11+,12?
InChIKeyDXUJOFOCIUVOOS-FOSCPWQOSA-N
MW334.87 g/mol
LogP3.90
Rot. Bonds2

About 5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one

5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one (PubChem CID 58762868) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one
PubChem CID58762868
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one
SMILESCN1[C@@H]2CC[C@H]1CC(Sc1ccc3[nH]c(=O)ccc3c1Cl)C2
InChIInChI=1S/C17H19ClN2OS/c1-20-10-2-3-11(20)9-12(8-10)22-15-6-5-14-13(17(15)18)4-7-16(21)19-14/h4-7,10-12H,2-3,8-9H2,1H3,(H,19,21)/t10-,11+,12?
InChIKeyDXUJOFOCIUVOOS-FOSCPWQOSA-N
XLogP3.90
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one?
The IUPAC name of 5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one (CID 58762868) is 5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one.
What is the SMILES notation for 5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one?
The canonical SMILES for 5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one is CN1[C@@H]2CC[C@H]1CC(Sc1ccc3[nH]c(=O)ccc3c1Cl)C2.
What is the InChIKey of 5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one?
The InChIKey is DXUJOFOCIUVOOS-FOSCPWQOSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-20-10-2-3-11(20)9-12(8-10)22-15-6-5-14-13(17(15)18)4-7-16(21)19-14/h4-7,10-12H,2-3,8-9H2,1H3,(H,19,21)/t10-,11+,12?.
What are the key properties of 5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one?
5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one has a molecular weight of 334.87 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]-1H-quinolin-2-one is sourced from PubChem (CID 58762868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).