ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate

C18H14N2O3 — CID 122523532

IUPACethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate
SMILESCCOC(=O)c1c(=O)c2ccccc2n2c1[nH]c1ccccc12
InChIInChI=1S/C18H14N2O3/c1-2-23-18(22)15-16(21)11-7-3-5-9-13(11)20-14-10-6-4-8-12(14)19-17(15)20/h3-10,19H,2H2,1H3
InChIKeyHGYRCYKLLSGOBI-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.11
Rot. Bonds2

About ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate

ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate (PubChem CID 122523532) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate
PubChem CID122523532
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Nameethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate
SMILESCCOC(=O)c1c(=O)c2ccccc2n2c1[nH]c1ccccc12
InChIInChI=1S/C18H14N2O3/c1-2-23-18(22)15-16(21)11-7-3-5-9-13(11)20-14-10-6-4-8-12(14)19-17(15)20/h3-10,19H,2H2,1H3
InChIKeyHGYRCYKLLSGOBI-UHFFFAOYSA-N
XLogP3.11
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 10H-indolo[1,2-a]benzimidazole-11-carboxylate
CID 102334118
ethyl 5-chloro-9-oxo-2,4,12-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),3(8),4,6,10,13,15,17,19-nonaene-10-carboxylate
CID 25234192
ethyl 9-thia-2,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene-11-carboxylate
CID 47079796
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994
ethyl 4-oxo-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-quinoline-3-carboxylate
CID 67607592
ethyl 11-methyl-13-thia-8,10-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene-15-carboxylate
CID 47079795
ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
butyl 5,12-dioxo-6H-isoquinolino[2,3-a]quinazoline-7-carboxylate
CID 59053303

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate?
The IUPAC name of ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate (CID 122523532) is ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate.
What is the SMILES notation for ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate?
The canonical SMILES for ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate is CCOC(=O)c1c(=O)c2ccccc2n2c1[nH]c1ccccc12.
What is the InChIKey of ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate?
The InChIKey is HGYRCYKLLSGOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-2-23-18(22)15-16(21)11-7-3-5-9-13(11)20-14-10-6-4-8-12(14)19-17(15)20/h3-10,19H,2H2,1H3.
What are the key properties of ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate?
ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate is sourced from PubChem (CID 122523532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).