9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid

C18H14N2O4S — CID 69020503

IUPAC9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid
SMILESO=C(O)c1cnc2ccc3c(c2c1Nc1ccccc1)CCS3(=O)=O
InChIInChI=1S/C18H14N2O4S/c21-18(22)13-10-19-14-6-7-15-12(8-9-25(15,23)24)16(14)17(13)20-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)(H,21,22)
InChIKeyPSLUETYZDMMYPR-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.01
Rot. Bonds3

About 9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid

9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid (PubChem CID 69020503) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid
PubChem CID69020503
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid
SMILESO=C(O)c1cnc2ccc3c(c2c1Nc1ccccc1)CCS3(=O)=O
InChIInChI=1S/C18H14N2O4S/c21-18(22)13-10-19-14-6-7-15-12(8-9-25(15,23)24)16(14)17(13)20-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)(H,21,22)
InChIKeyPSLUETYZDMMYPR-UHFFFAOYSA-N
XLogP3.01
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid?
The IUPAC name of 9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid (CID 69020503) is 9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid.
What is the SMILES notation for 9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid?
The canonical SMILES for 9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid is O=C(O)c1cnc2ccc3c(c2c1Nc1ccccc1)CCS3(=O)=O.
What is the InChIKey of 9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid?
The InChIKey is PSLUETYZDMMYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c21-18(22)13-10-19-14-6-7-15-12(8-9-25(15,23)24)16(14)17(13)20-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)(H,21,22).
What are the key properties of 9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid?
9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid has a molecular weight of 354.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anilino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinoline-8-carboxylic acid is sourced from PubChem (CID 69020503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).