ethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

C24H23NO3 — CID 2918821

IUPACethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(CC)cc1
InChIInChI=1S/C24H23NO3/c1-4-15-10-12-16(13-11-15)20-19(24(27)28-5-2)14(3)25-22-17-8-6-7-9-18(17)23(26)21(20)22/h6-13,20,25H,4-5H2,1-3H3
InChIKeyKBDJGCGBFLEEKW-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.38
Rot. Bonds4

About ethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

ethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (PubChem CID 2918821) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
PubChem CID2918821
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Nameethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(CC)cc1
InChIInChI=1S/C24H23NO3/c1-4-15-10-12-16(13-11-15)20-19(24(27)28-5-2)14(3)25-22-17-8-6-7-9-18(17)23(26)21(20)22/h6-13,20,25H,4-5H2,1-3H3
InChIKeyKBDJGCGBFLEEKW-UHFFFAOYSA-N
XLogP4.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_keto_A(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (CID 2918821) is ethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(CC)cc1.
What is the InChIKey of ethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The InChIKey is KBDJGCGBFLEEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-4-15-10-12-16(13-11-15)20-19(24(27)28-5-2)14(3)25-22-17-8-6-7-9-18(17)23(26)21(20)22/h6-13,20,25H,4-5H2,1-3H3.
What are the key properties of ethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
ethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 2918821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).