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

C16H12N2O8 — CID 146421111

IUPAC4,5-dimethoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
SMILESCOc1c(OC)c2[nH]c(C(=O)O)cc(C(=O)O)c2c2nc(C(=O)O)cc12
InChIInChI=1S/C16H12N2O8/c1-25-12-6-4-8(16(23)24)17-10(6)9-5(14(19)20)3-7(15(21)22)18-11(9)13(12)26-2/h3-4,18H,1-2H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyFSACFVPWARKHNC-UHFFFAOYSA-N
MW360.28 g/mol
LogP1.83
Rot. Bonds5

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

4,5-dimethoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid (PubChem CID 146421111) has the molecular formula C16H12N2O8 and a molecular weight of 360.28 g/mol. Its IUPAC name is 4,5-dimethoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid.

Molecular Properties

Compound Name4,5-dimethoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
PubChem CID146421111
Molecular FormulaC16H12N2O8
Molecular Weight360.28 g/mol
Exact Mass360.06
IUPAC Name4,5-dimethoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
SMILESCOc1c(OC)c2[nH]c(C(=O)O)cc(C(=O)O)c2c2nc(C(=O)O)cc12
InChIInChI=1S/C16H12N2O8/c1-25-12-6-4-8(16(23)24)17-10(6)9-5(14(19)20)3-7(15(21)22)18-11(9)13(12)26-2/h3-4,18H,1-2H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyFSACFVPWARKHNC-UHFFFAOYSA-N
XLogP1.83
TPSA159.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid?
The IUPAC name of 4,5-dimethoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid (CID 146421111) is 4,5-dimethoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid.
What is the SMILES notation for 4,5-dimethoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid?
The canonical SMILES for 4,5-dimethoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid is COc1c(OC)c2[nH]c(C(=O)O)cc(C(=O)O)c2c2nc(C(=O)O)cc12.
What is the InChIKey of 4,5-dimethoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid?
The InChIKey is FSACFVPWARKHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O8/c1-25-12-6-4-8(16(23)24)17-10(6)9-5(14(19)20)3-7(15(21)22)18-11(9)13(12)26-2/h3-4,18H,1-2H3,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 4,5-dimethoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid?
4,5-dimethoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid has a molecular weight of 360.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid is sourced from PubChem (CID 146421111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).