3-methylpyrido[3,2-g]quinoline-5,10-dione

C13H8N2O2 — CID 13126949

IUPAC3-methylpyrido[3,2-g]quinoline-5,10-dione
SMILESCc1cnc2c(c1)C(=O)c1cccnc1C2=O
InChIInChI=1S/C13H8N2O2/c1-7-5-9-11(15-6-7)13(17)10-8(12(9)16)3-2-4-14-10/h2-6H,1H3
InChIKeyXVXWDZYWGRHSJR-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.56
Rot. Bonds

About 3-methylpyrido[3,2-g]quinoline-5,10-dione

3-methylpyrido[3,2-g]quinoline-5,10-dione (PubChem CID 13126949) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-methylpyrido[3,2-g]quinoline-5,10-dione.

Molecular Properties

Compound Name3-methylpyrido[3,2-g]quinoline-5,10-dione
PubChem CID13126949
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name3-methylpyrido[3,2-g]quinoline-5,10-dione
SMILESCc1cnc2c(c1)C(=O)c1cccnc1C2=O
InChIInChI=1S/C13H8N2O2/c1-7-5-9-11(15-6-7)13(17)10-8(12(9)16)3-2-4-14-10/h2-6H,1H3
InChIKeyXVXWDZYWGRHSJR-UHFFFAOYSA-N
XLogP1.56
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
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 3-methylpyrido[3,2-g]quinoline-5,10-dione?
The IUPAC name of 3-methylpyrido[3,2-g]quinoline-5,10-dione (CID 13126949) is 3-methylpyrido[3,2-g]quinoline-5,10-dione.
What is the SMILES notation for 3-methylpyrido[3,2-g]quinoline-5,10-dione?
The canonical SMILES for 3-methylpyrido[3,2-g]quinoline-5,10-dione is Cc1cnc2c(c1)C(=O)c1cccnc1C2=O.
What is the InChIKey of 3-methylpyrido[3,2-g]quinoline-5,10-dione?
The InChIKey is XVXWDZYWGRHSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c1-7-5-9-11(15-6-7)13(17)10-8(12(9)16)3-2-4-14-10/h2-6H,1H3.
What are the key properties of 3-methylpyrido[3,2-g]quinoline-5,10-dione?
3-methylpyrido[3,2-g]quinoline-5,10-dione has a molecular weight of 224.22 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrido[3,2-g]quinoline-5,10-dione is sourced from PubChem (CID 13126949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).