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

C13H7ClN2O2 — CID 11086449

IUPAC4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione
SMILESCc1ccnc2c1C(=O)c1nccc(Cl)c1C2=O
InChIInChI=1S/C13H7ClN2O2/c1-6-2-4-15-10-8(6)12(17)11-9(13(10)18)7(14)3-5-16-11/h2-5H,1H3
InChIKeyJDACLQXSNSRDTB-UHFFFAOYSA-N
MW258.66 g/mol
LogP2.21
Rot. Bonds

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

4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione (PubChem CID 11086449) has the molecular formula C13H7ClN2O2 and a molecular weight of 258.66 g/mol. Its IUPAC name is 4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione.

Molecular Properties

Compound Name4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione
PubChem CID11086449
Molecular FormulaC13H7ClN2O2
Molecular Weight258.66 g/mol
Exact Mass258.02
IUPAC Name4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione
SMILESCc1ccnc2c1C(=O)c1nccc(Cl)c1C2=O
InChIInChI=1S/C13H7ClN2O2/c1-6-2-4-15-10-8(6)12(17)11-9(13(10)18)7(14)3-5-16-11/h2-5H,1H3
InChIKeyJDACLQXSNSRDTB-UHFFFAOYSA-N
XLogP2.21
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 52.21
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-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione?
The IUPAC name of 4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione (CID 11086449) is 4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione.
What is the SMILES notation for 4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione?
The canonical SMILES for 4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione is Cc1ccnc2c1C(=O)c1nccc(Cl)c1C2=O.
What is the InChIKey of 4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione?
The InChIKey is JDACLQXSNSRDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2O2/c1-6-2-4-15-10-8(6)12(17)11-9(13(10)18)7(14)3-5-16-11/h2-5H,1H3.
What are the key properties of 4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione?
4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione has a molecular weight of 258.66 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione is sourced from PubChem (CID 11086449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).