7-amino-2-methylquinoline-5,8-dione

C10H8N2O2 — CID 10976237

IUPAC7-amino-2-methylquinoline-5,8-dione
SMILESCc1ccc2c(n1)C(=O)C(N)=CC2=O
InChIInChI=1S/C10H8N2O2/c1-5-2-3-6-8(13)4-7(11)10(14)9(6)12-5/h2-4H,11H2,1H3
InChIKeySDMIHCWUTXPJKV-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.61
Rot. Bonds

About 7-amino-2-methylquinoline-5,8-dione

7-amino-2-methylquinoline-5,8-dione (PubChem CID 10976237) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 7-amino-2-methylquinoline-5,8-dione.

Molecular Properties

Compound Name7-amino-2-methylquinoline-5,8-dione
PubChem CID10976237
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name7-amino-2-methylquinoline-5,8-dione
SMILESCc1ccc2c(n1)C(=O)C(N)=CC2=O
InChIInChI=1S/C10H8N2O2/c1-5-2-3-6-8(13)4-7(11)10(14)9(6)12-5/h2-4H,11H2,1H3
InChIKeySDMIHCWUTXPJKV-UHFFFAOYSA-N
XLogP0.61
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-amino-2-methylquinoline-5,8-dione?
The IUPAC name of 7-amino-2-methylquinoline-5,8-dione (CID 10976237) is 7-amino-2-methylquinoline-5,8-dione.
What is the SMILES notation for 7-amino-2-methylquinoline-5,8-dione?
The canonical SMILES for 7-amino-2-methylquinoline-5,8-dione is Cc1ccc2c(n1)C(=O)C(N)=CC2=O.
What is the InChIKey of 7-amino-2-methylquinoline-5,8-dione?
The InChIKey is SDMIHCWUTXPJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-5-2-3-6-8(13)4-7(11)10(14)9(6)12-5/h2-4H,11H2,1H3.
What are the key properties of 7-amino-2-methylquinoline-5,8-dione?
7-amino-2-methylquinoline-5,8-dione has a molecular weight of 188.19 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methylquinoline-5,8-dione is sourced from PubChem (CID 10976237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).