ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate

C17H18N2O3 — CID 91735958

IUPACethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c([nH]1)c(C)cc1[nH]c(C)c(C)c12
InChIInChI=1S/C17H18N2O3/c1-5-22-17(21)12-7-13(20)15-14-9(3)10(4)18-11(14)6-8(2)16(15)19-12/h6-7,18H,5H2,1-4H3,(H,19,20)
InChIKeyYAVFNCYOALEWGR-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.11
Rot. Bonds2

About ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate

ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate (PubChem CID 91735958) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate
PubChem CID91735958
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nameethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c([nH]1)c(C)cc1[nH]c(C)c(C)c12
InChIInChI=1S/C17H18N2O3/c1-5-22-17(21)12-7-13(20)15-14-9(3)10(4)18-11(14)6-8(2)16(15)19-12/h6-7,18H,5H2,1-4H3,(H,19,20)
InChIKeyYAVFNCYOALEWGR-UHFFFAOYSA-N
XLogP3.11
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate?
The IUPAC name of ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate (CID 91735958) is ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate.
What is the SMILES notation for ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate?
The canonical SMILES for ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate is CCOC(=O)c1cc(=O)c2c([nH]1)c(C)cc1[nH]c(C)c(C)c12.
What is the InChIKey of ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate?
The InChIKey is YAVFNCYOALEWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-5-22-17(21)12-7-13(20)15-14-9(3)10(4)18-11(14)6-8(2)16(15)19-12/h6-7,18H,5H2,1-4H3,(H,19,20).
What are the key properties of ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate?
ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate is sourced from PubChem (CID 91735958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).