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

C15H9BrN2O7 — CID 146553032

IUPAC4-bromo-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
SMILESCOc1c(Br)c2cc(C(=O)O)nc2c2c(C(=O)O)cc(C(=O)O)[nH]c12
InChIInChI=1S/C15H9BrN2O7/c1-25-12-9(16)5-3-7(15(23)24)17-10(5)8-4(13(19)20)2-6(14(21)22)18-11(8)12/h2-3,18H,1H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyGAJANOIXYPDZGC-UHFFFAOYSA-N
MW409.15 g/mol
LogP2.58
Rot. Bonds4

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

4-bromo-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid (PubChem CID 146553032) has the molecular formula C15H9BrN2O7 and a molecular weight of 409.15 g/mol. Its IUPAC name is 4-bromo-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid.

Molecular Properties

Compound Name4-bromo-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
PubChem CID146553032
Molecular FormulaC15H9BrN2O7
Molecular Weight409.15 g/mol
Exact Mass407.96
IUPAC Name4-bromo-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
SMILESCOc1c(Br)c2cc(C(=O)O)nc2c2c(C(=O)O)cc(C(=O)O)[nH]c12
InChIInChI=1S/C15H9BrN2O7/c1-25-12-9(16)5-3-7(15(23)24)17-10(5)8-4(13(19)20)2-6(14(21)22)18-11(8)12/h2-3,18H,1H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyGAJANOIXYPDZGC-UHFFFAOYSA-N
XLogP2.58
TPSA149.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.15
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid?
The IUPAC name of 4-bromo-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid (CID 146553032) is 4-bromo-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid.
What is the SMILES notation for 4-bromo-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid?
The canonical SMILES for 4-bromo-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid is COc1c(Br)c2cc(C(=O)O)nc2c2c(C(=O)O)cc(C(=O)O)[nH]c12.
What is the InChIKey of 4-bromo-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid?
The InChIKey is GAJANOIXYPDZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O7/c1-25-12-9(16)5-3-7(15(23)24)17-10(5)8-4(13(19)20)2-6(14(21)22)18-11(8)12/h2-3,18H,1H3,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 4-bromo-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid?
4-bromo-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid has a molecular weight of 409.15 g/mol, XLogP of 2.58, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-6H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid is sourced from PubChem (CID 146553032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).