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

C13H7ClN2O2 — CID 10199066

IUPAC9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione
SMILESCc1cnc2c(c1)C(=O)c1nccc(Cl)c1C2=O
InChIInChI=1S/C13H7ClN2O2/c1-6-4-7-10(16-5-6)13(18)9-8(14)2-3-15-11(9)12(7)17/h2-5H,1H3
InChIKeyTXLIUUIPIQEOQN-UHFFFAOYSA-N
MW258.66 g/mol
LogP2.21
Rot. Bonds

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

9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione (PubChem CID 10199066) has the molecular formula C13H7ClN2O2 and a molecular weight of 258.66 g/mol. Its IUPAC name is 9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione.

Molecular Properties

Compound Name9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione
PubChem CID10199066
Molecular FormulaC13H7ClN2O2
Molecular Weight258.66 g/mol
Exact Mass258.02
IUPAC Name9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione
SMILESCc1cnc2c(c1)C(=O)c1nccc(Cl)c1C2=O
InChIInChI=1S/C13H7ClN2O2/c1-6-4-7-10(16-5-6)13(18)9-8(14)2-3-15-11(9)12(7)17/h2-5H,1H3
InChIKeyTXLIUUIPIQEOQN-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 9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione?
The IUPAC name of 9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione (CID 10199066) is 9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione.
What is the SMILES notation for 9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione?
The canonical SMILES for 9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione is Cc1cnc2c(c1)C(=O)c1nccc(Cl)c1C2=O.
What is the InChIKey of 9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione?
The InChIKey is TXLIUUIPIQEOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2O2/c1-6-4-7-10(16-5-6)13(18)9-8(14)2-3-15-11(9)12(7)17/h2-5H,1H3.
What are the key properties of 9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione?
9-chloro-3-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 9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione is sourced from PubChem (CID 10199066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).