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

C13H6Cl2N2O2 — CID 22646504

IUPAC2,4-dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione
SMILESCc1ccnc2c1C(=O)c1nc(Cl)cc(Cl)c1C2=O
InChIInChI=1S/C13H6Cl2N2O2/c1-5-2-3-16-10-8(5)12(18)11-9(13(10)19)6(14)4-7(15)17-11/h2-4H,1H3
InChIKeyLIBQQXVHYAHHPG-UHFFFAOYSA-N
MW293.11 g/mol
LogP2.87
Rot. Bonds

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

2,4-dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione (PubChem CID 22646504) has the molecular formula C13H6Cl2N2O2 and a molecular weight of 293.11 g/mol. Its IUPAC name is 2,4-dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione.

Molecular Properties

Compound Name2,4-dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione
PubChem CID22646504
Molecular FormulaC13H6Cl2N2O2
Molecular Weight293.11 g/mol
Exact Mass291.98
IUPAC Name2,4-dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione
SMILESCc1ccnc2c1C(=O)c1nc(Cl)cc(Cl)c1C2=O
InChIInChI=1S/C13H6Cl2N2O2/c1-5-2-3-16-10-8(5)12(18)11-9(13(10)19)6(14)4-7(15)17-11/h2-4H,1H3
InChIKeyLIBQQXVHYAHHPG-UHFFFAOYSA-N
XLogP2.87
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione?
The IUPAC name of 2,4-dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione (CID 22646504) is 2,4-dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione.
What is the SMILES notation for 2,4-dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione?
The canonical SMILES for 2,4-dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione is Cc1ccnc2c1C(=O)c1nc(Cl)cc(Cl)c1C2=O.
What is the InChIKey of 2,4-dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione?
The InChIKey is LIBQQXVHYAHHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2N2O2/c1-5-2-3-16-10-8(5)12(18)11-9(13(10)19)6(14)4-7(15)17-11/h2-4H,1H3.
What are the key properties of 2,4-dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione?
2,4-dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione has a molecular weight of 293.11 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione is sourced from PubChem (CID 22646504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).