9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C14H12N2O3S — CID 123690136

IUPAC9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCOc1cccc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12
InChIInChI=1S/C14H12N2O3S/c1-19-9-4-2-3-8-11(9)16(7-5-6-7)14-10(12(8)17)13(18)15-20-14/h2-4,7H,5-6H2,1H3,(H,15,18)
InChIKeyDWQAFTGKZTYJBV-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.25
Rot. Bonds2

About 9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 123690136) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID123690136
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCOc1cccc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12
InChIInChI=1S/C14H12N2O3S/c1-19-9-4-2-3-8-11(9)16(7-5-6-7)14-10(12(8)17)13(18)15-20-14/h2-4,7H,5-6H2,1H3,(H,15,18)
InChIKeyDWQAFTGKZTYJBV-UHFFFAOYSA-N
XLogP2.25
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-amino-4-fluorophenyl)-9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 11996804
9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426801
9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 89431332
12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione
CID 100922534
9-cyclopropyl-6-fluoro-7-[2-(4-methoxyphenyl)ethynyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426832
9-cyclopropyl-7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 66742227
7-methoxy-1,2-benzothiazol-3-one
CID 119088024
9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride
CID 53238831
3-cyclobutyl-4-methoxy-1H-benzimidazol-2-one
CID 117209284
9-cyclopropyl-6-fluoro-7-(2-phenylacetyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426901
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
3-amino-8-methoxy-9-methyl-2H-pyrazolo[3,4-b]quinolin-4-one
CID 14958935

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 123690136) is 9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is COc1cccc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12.
What is the InChIKey of 9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is DWQAFTGKZTYJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-19-9-4-2-3-8-11(9)16(7-5-6-7)14-10(12(8)17)13(18)15-20-14/h2-4,7H,5-6H2,1H3,(H,15,18).
What are the key properties of 9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 288.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 123690136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).