4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid

C17H14N2O8 — CID 146430965

IUPAC4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
SMILESCCOc1c(OC)c2[nH]c(C(=O)O)cc(C(=O)O)c2c2nc(C(=O)O)cc12
InChIInChI=1S/C17H14N2O8/c1-3-27-13-7-5-9(17(24)25)18-11(7)10-6(15(20)21)4-8(16(22)23)19-12(10)14(13)26-2/h4-5,19H,3H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)
InChIKeyJSIWYBYLZKRJMM-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.22
Rot. Bonds6

About 4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid

4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid (PubChem CID 146430965) has the molecular formula C17H14N2O8 and a molecular weight of 374.31 g/mol. Its IUPAC name is 4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid.

Molecular Properties

Compound Name4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
PubChem CID146430965
Molecular FormulaC17H14N2O8
Molecular Weight374.31 g/mol
Exact Mass374.08
IUPAC Name4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
SMILESCCOc1c(OC)c2[nH]c(C(=O)O)cc(C(=O)O)c2c2nc(C(=O)O)cc12
InChIInChI=1S/C17H14N2O8/c1-3-27-13-7-5-9(17(24)25)18-11(7)10-6(15(20)21)4-8(16(22)23)19-12(10)14(13)26-2/h4-5,19H,3H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)
InChIKeyJSIWYBYLZKRJMM-UHFFFAOYSA-N
XLogP2.22
TPSA159.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid?
The IUPAC name of 4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid (CID 146430965) is 4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid.
What is the SMILES notation for 4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid?
The canonical SMILES for 4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid is CCOc1c(OC)c2[nH]c(C(=O)O)cc(C(=O)O)c2c2nc(C(=O)O)cc12.
What is the InChIKey of 4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid?
The InChIKey is JSIWYBYLZKRJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O8/c1-3-27-13-7-5-9(17(24)25)18-11(7)10-6(15(20)21)4-8(16(22)23)19-12(10)14(13)26-2/h4-5,19H,3H2,1-2H3,(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid?
4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid has a molecular weight of 374.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid is sourced from PubChem (CID 146430965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).