6-amino-7-methylsulfinylquinoline-5,8-dione

C10H8N2O3S — CID 46861821

IUPAC6-amino-7-methylsulfinylquinoline-5,8-dione
SMILESCS(=O)C1=C(N)C(=O)c2cccnc2C1=O
InChIInChI=1S/C10H8N2O3S/c1-16(15)10-6(11)8(13)5-3-2-4-12-7(5)9(10)14/h2-4H,11H2,1H3
InChIKeyMQCISYOMABQTNV-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.01
Rot. Bonds1

About 6-amino-7-methylsulfinylquinoline-5,8-dione

6-amino-7-methylsulfinylquinoline-5,8-dione (PubChem CID 46861821) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 6-amino-7-methylsulfinylquinoline-5,8-dione.

Molecular Properties

Compound Name6-amino-7-methylsulfinylquinoline-5,8-dione
PubChem CID46861821
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name6-amino-7-methylsulfinylquinoline-5,8-dione
SMILESCS(=O)C1=C(N)C(=O)c2cccnc2C1=O
InChIInChI=1S/C10H8N2O3S/c1-16(15)10-6(11)8(13)5-3-2-4-12-7(5)9(10)14/h2-4H,11H2,1H3
InChIKeyMQCISYOMABQTNV-UHFFFAOYSA-N
XLogP0.01
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-methylsulfinylquinoline-5,8-dione?
The IUPAC name of 6-amino-7-methylsulfinylquinoline-5,8-dione (CID 46861821) is 6-amino-7-methylsulfinylquinoline-5,8-dione.
What is the SMILES notation for 6-amino-7-methylsulfinylquinoline-5,8-dione?
The canonical SMILES for 6-amino-7-methylsulfinylquinoline-5,8-dione is CS(=O)C1=C(N)C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-amino-7-methylsulfinylquinoline-5,8-dione?
The InChIKey is MQCISYOMABQTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c1-16(15)10-6(11)8(13)5-3-2-4-12-7(5)9(10)14/h2-4H,11H2,1H3.
What are the key properties of 6-amino-7-methylsulfinylquinoline-5,8-dione?
6-amino-7-methylsulfinylquinoline-5,8-dione has a molecular weight of 236.25 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-methylsulfinylquinoline-5,8-dione is sourced from PubChem (CID 46861821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).