ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate

C22H16N2O4 — CID 11280197

IUPACethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate
SMILESCCOC(=O)c1cc2c(c(-c3ccc(C)cc3)n1)C(=O)c1ncccc1C2=O
InChIInChI=1S/C22H16N2O4/c1-3-28-22(27)16-11-15-17(18(24-16)13-8-6-12(2)7-9-13)21(26)19-14(20(15)25)5-4-10-23-19/h4-11H,3H2,1-2H3
InChIKeyRXFHCPZRGRCDRR-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.40
Rot. Bonds3

About ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate

ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate (PubChem CID 11280197) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate
PubChem CID11280197
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Nameethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate
SMILESCCOC(=O)c1cc2c(c(-c3ccc(C)cc3)n1)C(=O)c1ncccc1C2=O
InChIInChI=1S/C22H16N2O4/c1-3-28-22(27)16-11-15-17(18(24-16)13-8-6-12(2)7-9-13)21(26)19-14(20(15)25)5-4-10-23-19/h4-11H,3H2,1-2H3
InChIKeyRXFHCPZRGRCDRR-UHFFFAOYSA-N
XLogP3.40
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate with MolForge

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Related Compounds

ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate
CID 121478354
ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate
CID 14895315
ethyl pyridine-2-carboxylate
CID 17307
ethyl 4-(3-formyl-2-pyridinyl)benzoate
CID 57360940
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
CID 44567523
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
diethyl 4-[5-[4-[5-[2,6-bis(ethoxycarbonyl)-4-pyridinyl]thiophen-2-yl]phenyl]thiophen-2-yl]pyridine-2,6-dicarboxylate
CID 102149888
2-(dimethylamino)naphtho[2,1-g]quinoline-7,12-dione
CID 23239458
ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate
CID 25179522
ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate
CID 162649952
ethyl 2-oxo-3-(5-oxoindeno[1,2-b]pyridin-4-yl)propanoate
CID 14856349

Frequently Asked Questions

What is the IUPAC name of ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate?
The IUPAC name of ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate (CID 11280197) is ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate.
What is the SMILES notation for ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate?
The canonical SMILES for ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate is CCOC(=O)c1cc2c(c(-c3ccc(C)cc3)n1)C(=O)c1ncccc1C2=O.
What is the InChIKey of ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate?
The InChIKey is RXFHCPZRGRCDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-3-28-22(27)16-11-15-17(18(24-16)13-8-6-12(2)7-9-13)21(26)19-14(20(15)25)5-4-10-23-19/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate?
ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate is sourced from PubChem (CID 11280197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).