ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate

C18H11BrN2O4 — CID 44567523

IUPACethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
SMILESCCOC(=O)c1c2c(n3cccc(Br)c13)C(=O)c1cccnc1C2=O
InChIInChI=1S/C18H11BrN2O4/c1-2-25-18(24)12-11-15(21-8-4-6-10(19)14(12)21)16(22)9-5-3-7-20-13(9)17(11)23/h3-8H,2H2,1H3
InChIKeyNHYYOVXOARDQKV-UHFFFAOYSA-N
MW399.20 g/mol
LogP3.05
Rot. Bonds2

About ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate

ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate (PubChem CID 44567523) has the molecular formula C18H11BrN2O4 and a molecular weight of 399.20 g/mol. Its IUPAC name is ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate.

Molecular Properties

Compound Nameethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
PubChem CID44567523
Molecular FormulaC18H11BrN2O4
Molecular Weight399.20 g/mol
Exact Mass397.99
IUPAC Nameethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
SMILESCCOC(=O)c1c2c(n3cccc(Br)c13)C(=O)c1cccnc1C2=O
InChIInChI=1S/C18H11BrN2O4/c1-2-25-18(24)12-11-15(21-8-4-6-10(19)14(12)21)16(22)9-5-3-7-20-13(9)17(11)23/h3-8H,2H2,1H3
InChIKeyNHYYOVXOARDQKV-UHFFFAOYSA-N
XLogP3.05
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-[3-(4-acetylpiperazin-1-yl)propoxy]-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 57327512
ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate
CID 121478354
11-acetylindolizino[3,2-g]quinoline-5,12-dione
CID 44567516
ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate
CID 14895315
ethyl 2-amino-4,9-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-g]quinoline-3-carboxylate
CID 25181429
ethyl 9-(4-methylphenyl)-5,10-dioxopyrido[4,3-g]quinoline-7-carboxylate
CID 11280197
ethyl (3R)-3-amino-4,9-dioxo-2H-thieno[2,3-g]quinoline-3-carboxylate
CID 25179522
ethyl 1-(3-bromo-2-pyridinyl)-5-ethyl-3-methylpyrazole-4-carboxylate
CID 150265683
propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
CID 102335805
ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
CID 12067041
ethyl 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82529178
ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 171530837

Frequently Asked Questions

What is the IUPAC name of ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate?
The IUPAC name of ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate (CID 44567523) is ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate.
What is the SMILES notation for ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate?
The canonical SMILES for ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate is CCOC(=O)c1c2c(n3cccc(Br)c13)C(=O)c1cccnc1C2=O.
What is the InChIKey of ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate?
The InChIKey is NHYYOVXOARDQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O4/c1-2-25-18(24)12-11-15(21-8-4-6-10(19)14(12)21)16(22)9-5-3-7-20-13(9)17(11)23/h3-8H,2H2,1H3.
What are the key properties of ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate?
ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate has a molecular weight of 399.20 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-bromo-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate is sourced from PubChem (CID 44567523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).