ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate

C18H18N2O3 — CID 58240799

IUPACethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(CC)cc2c1-c1ccc[nH]c1=O
InChIInChI=1S/C18H18N2O3/c1-3-11-7-8-14-13(10-11)15(12-6-5-9-19-17(12)21)16(20-14)18(22)23-4-2/h5-10,20H,3-4H2,1-2H3,(H,19,21)
InChIKeyPHKFCCAWXXYASQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.26
Rot. Bonds4

About ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate

ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate (PubChem CID 58240799) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate
PubChem CID58240799
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Nameethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(CC)cc2c1-c1ccc[nH]c1=O
InChIInChI=1S/C18H18N2O3/c1-3-11-7-8-14-13(10-11)15(12-6-5-9-19-17(12)21)16(20-14)18(22)23-4-2/h5-10,20H,3-4H2,1-2H3,(H,19,21)
InChIKeyPHKFCCAWXXYASQ-UHFFFAOYSA-N
XLogP3.26
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate
CID 53218078
ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19603453
ethyl 6-(cyanomethyl)-4-oxo-1H-quinoline-2-carboxylate
CID 117060106
3-(3-ethylphenyl)-1H-pyridin-2-one
CID 57202866
ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
CID 68865271
ethyl 3-ethyl-5-fluoro-1H-indole-2-carboxylate
CID 18986264
N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide
CID 21445480
ethyl 3-(4-chlorophenyl)-5-ethoxy-1H-indole-2-carboxylate
CID 94830137
ethyl 5-ethoxy-3-methyl-1H-indole-2-carboxylate
CID 4777692
(2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
CID 7576620
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate
CID 14857376

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate (CID 58240799) is ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(CC)cc2c1-c1ccc[nH]c1=O.
What is the InChIKey of ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate?
The InChIKey is PHKFCCAWXXYASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-11-7-8-14-13(10-11)15(12-6-5-9-19-17(12)21)16(20-14)18(22)23-4-2/h5-10,20H,3-4H2,1-2H3,(H,19,21).
What are the key properties of ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate?
ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate is sourced from PubChem (CID 58240799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).