10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid

C16H8BrIN2O2 — CID 91664023

IUPAC10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid
SMILESO=C(O)c1nc2ccc(I)cc2c2[nH]c3c(Br)cccc3c12
InChIInChI=1S/C16H8BrIN2O2/c17-10-3-1-2-8-12-14(20-13(8)10)9-6-7(18)4-5-11(9)19-15(12)16(21)22/h1-6,20H,(H,21,22)
InChIKeyWYQPGNJIFZHADC-UHFFFAOYSA-N
MW467.06 g/mol
LogP4.93
Rot. Bonds1

About 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid

10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid (PubChem CID 91664023) has the molecular formula C16H8BrIN2O2 and a molecular weight of 467.06 g/mol. Its IUPAC name is 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid
PubChem CID91664023
Molecular FormulaC16H8BrIN2O2
Molecular Weight467.06 g/mol
Exact Mass465.88
IUPAC Name10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid
SMILESO=C(O)c1nc2ccc(I)cc2c2[nH]c3c(Br)cccc3c12
InChIInChI=1S/C16H8BrIN2O2/c17-10-3-1-2-8-12-14(20-13(8)10)9-6-7(18)4-5-11(9)19-15(12)16(21)22/h1-6,20H,(H,21,22)
InChIKeyWYQPGNJIFZHADC-UHFFFAOYSA-N
XLogP4.93
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.06
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid?
The IUPAC name of 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid (CID 91664023) is 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid.
What is the SMILES notation for 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid?
The canonical SMILES for 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid is O=C(O)c1nc2ccc(I)cc2c2[nH]c3c(Br)cccc3c12.
What is the InChIKey of 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid?
The InChIKey is WYQPGNJIFZHADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrIN2O2/c17-10-3-1-2-8-12-14(20-13(8)10)9-6-7(18)4-5-11(9)19-15(12)16(21)22/h1-6,20H,(H,21,22).
What are the key properties of 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid?
10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid has a molecular weight of 467.06 g/mol, XLogP of 4.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid is sourced from PubChem (CID 91664023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).