3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde

C23H20N2O4 — CID 88591959

IUPAC3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde
SMILESCCOc1c(C=O)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
InChIInChI=1S/C23H20N2O4/c1-3-29-22-18(14-26)24(2)21-16-11-7-8-12-17(16)25(23(28)20(21)22)13-19(27)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3
InChIKeyYZAYNUCIDWLTSJ-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.59
Rot. Bonds6

About 3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde

3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde (PubChem CID 88591959) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde
PubChem CID88591959
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde
SMILESCCOc1c(C=O)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
InChIInChI=1S/C23H20N2O4/c1-3-29-22-18(14-26)24(2)21-16-11-7-8-12-17(16)25(23(28)20(21)22)13-19(27)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3
InChIKeyYZAYNUCIDWLTSJ-UHFFFAOYSA-N
XLogP3.59
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde?
The IUPAC name of 3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde (CID 88591959) is 3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde.
What is the SMILES notation for 3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde?
The canonical SMILES for 3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde is CCOc1c(C=O)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.
What is the InChIKey of 3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde?
The InChIKey is YZAYNUCIDWLTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-3-29-22-18(14-26)24(2)21-16-11-7-8-12-17(16)25(23(28)20(21)22)13-19(27)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3.
What are the key properties of 3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde?
3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde has a molecular weight of 388.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde is sourced from PubChem (CID 88591959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).