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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).