2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione

C14H10N2O3 — CID 71345234

IUPAC2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione
SMILESCOc1ccc2c(n1)C(=O)c1ncc(C)cc1C2=O
InChIInChI=1S/C14H10N2O3/c1-7-5-9-11(15-6-7)14(18)12-8(13(9)17)3-4-10(16-12)19-2/h3-6H,1-2H3
InChIKeyCBSLHGKYHVZQRU-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.57
Rot. Bonds1

About 2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione

2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione (PubChem CID 71345234) has the molecular formula C14H10N2O3 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione.

Molecular Properties

Compound Name2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione
PubChem CID71345234
Molecular FormulaC14H10N2O3
Molecular Weight254.24 g/mol
Exact Mass254.07
IUPAC Name2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione
SMILESCOc1ccc2c(n1)C(=O)c1ncc(C)cc1C2=O
InChIInChI=1S/C14H10N2O3/c1-7-5-9-11(15-6-7)14(18)12-8(13(9)17)3-4-10(16-12)19-2/h3-6H,1-2H3
InChIKeyCBSLHGKYHVZQRU-UHFFFAOYSA-N
XLogP1.57
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione?
The IUPAC name of 2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione (CID 71345234) is 2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione.
What is the SMILES notation for 2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione?
The canonical SMILES for 2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione is COc1ccc2c(n1)C(=O)c1ncc(C)cc1C2=O.
What is the InChIKey of 2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione?
The InChIKey is CBSLHGKYHVZQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-7-5-9-11(15-6-7)14(18)12-8(13(9)17)3-4-10(16-12)19-2/h3-6H,1-2H3.
What are the key properties of 2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione?
2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione has a molecular weight of 254.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione is sourced from PubChem (CID 71345234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).