4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione

C14H10N2O2 — CID 18629299

IUPAC4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione
SMILESCc1ccnc2c1C(=O)c1nccc(C)c1C2=O
InChIInChI=1S/C14H10N2O2/c1-7-3-5-15-11-9(7)13(17)12-10(14(11)18)8(2)4-6-16-12/h3-6H,1-2H3
InChIKeyYYKMVCARJGKVDD-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.87
Rot. Bonds

About 4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione

4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione (PubChem CID 18629299) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione.

Molecular Properties

Compound Name4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione
PubChem CID18629299
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione
SMILESCc1ccnc2c1C(=O)c1nccc(C)c1C2=O
InChIInChI=1S/C14H10N2O2/c1-7-3-5-15-11-9(7)13(17)12-10(14(11)18)8(2)4-6-16-12/h3-6H,1-2H3
InChIKeyYYKMVCARJGKVDD-UHFFFAOYSA-N
XLogP1.87
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.87
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 4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione?
The IUPAC name of 4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione (CID 18629299) is 4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione.
What is the SMILES notation for 4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione?
The canonical SMILES for 4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione is Cc1ccnc2c1C(=O)c1nccc(C)c1C2=O.
What is the InChIKey of 4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione?
The InChIKey is YYKMVCARJGKVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-7-3-5-15-11-9(7)13(17)12-10(14(11)18)8(2)4-6-16-12/h3-6H,1-2H3.
What are the key properties of 4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione?
4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione has a molecular weight of 238.25 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethylpyrido[2,3-g]quinoline-5,10-dione is sourced from PubChem (CID 18629299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).