ethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate

C17H18N2O3 — CID 6324484

IUPACethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate
SMILESCCOC(=O)c1cc(=O)c2ccc3c(C)c(C)n(C)c3c2[nH]1
InChIInChI=1S/C17H18N2O3/c1-5-22-17(21)13-8-14(20)12-7-6-11-9(2)10(3)19(4)16(11)15(12)18-13/h6-8H,5H2,1-4H3,(H,18,20)
InChIKeyXKWJOTCNRWNZNV-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.81
Rot. Bonds2

About ethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate

ethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate (PubChem CID 6324484) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate
PubChem CID6324484
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nameethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate
SMILESCCOC(=O)c1cc(=O)c2ccc3c(C)c(C)n(C)c3c2[nH]1
InChIInChI=1S/C17H18N2O3/c1-5-22-17(21)13-8-14(20)12-7-6-11-9(2)10(3)19(4)16(11)15(12)18-13/h6-8H,5H2,1-4H3,(H,18,20)
InChIKeyXKWJOTCNRWNZNV-UHFFFAOYSA-N
XLogP2.81
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate?
The IUPAC name of ethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate (CID 6324484) is ethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate.
What is the SMILES notation for ethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate?
The canonical SMILES for ethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate is CCOC(=O)c1cc(=O)c2ccc3c(C)c(C)n(C)c3c2[nH]1.
What is the InChIKey of ethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate?
The InChIKey is XKWJOTCNRWNZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-5-22-17(21)13-8-14(20)12-7-6-11-9(2)10(3)19(4)16(11)15(12)18-13/h6-8H,5H2,1-4H3,(H,18,20).
What are the key properties of ethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate?
ethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,3-trimethyl-6-oxo-9H-pyrrolo[3,2-h]quinoline-8-carboxylate is sourced from PubChem (CID 6324484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).