9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one

C17H13NO3S — CID 7307435

IUPAC9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
SMILESCOc1cc2sc3c(=O)[nH]c4ccccc4c3c2cc1OC
InChIInChI=1S/C17H13NO3S/c1-20-12-7-10-14(8-13(12)21-2)22-16-15(10)9-5-3-4-6-11(9)18-17(16)19/h3-8H,1-2H3,(H,18,19)
InChIKeyGKKZAAKMPHCCTA-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.91
Rot. Bonds2

About 9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one

9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one (PubChem CID 7307435) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is 9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one.

Molecular Properties

Compound Name9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
PubChem CID7307435
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
SMILESCOc1cc2sc3c(=O)[nH]c4ccccc4c3c2cc1OC
InChIInChI=1S/C17H13NO3S/c1-20-12-7-10-14(8-13(12)21-2)22-16-15(10)9-5-3-4-6-11(9)18-17(16)19/h3-8H,1-2H3,(H,18,19)
InChIKeyGKKZAAKMPHCCTA-UHFFFAOYSA-N
XLogP3.91
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 5091486
10-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 1779937
5-[3-(Dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one
CID 10428987
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
CID 16008956
N-[2-(3,4-Diethoxyphenyl)ethyl]-5-ethyl-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 16009001
9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide
CID 11188825
N-[2-(3,4-diethoxyphenyl)ethyl]-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 16009536
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 16009553
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 16020220
N-[2-(3,4-Diethoxyphenyl)ethyl]-5-methyl-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 16020249
3,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
CID 21795035
10-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
CID 118717513

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
The IUPAC name of 9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one (CID 7307435) is 9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one.
What is the SMILES notation for 9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
The canonical SMILES for 9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one is COc1cc2sc3c(=O)[nH]c4ccccc4c3c2cc1OC.
What is the InChIKey of 9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
The InChIKey is GKKZAAKMPHCCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c1-20-12-7-10-14(8-13(12)21-2)22-16-15(10)9-5-3-4-6-11(9)18-17(16)19/h3-8H,1-2H3,(H,18,19).
What are the key properties of 9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one?
9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one has a molecular weight of 311.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one is sourced from PubChem (CID 7307435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).