3-(7-bromo-1H-indazol-3-yl)quinoline

C16H10BrN3 — CID 90489640

IUPAC3-(7-bromo-1H-indazol-3-yl)quinoline
SMILESBrc1cccc2c(-c3cnc4ccccc4c3)n[nH]c12
InChIInChI=1S/C16H10BrN3/c17-13-6-3-5-12-15(19-20-16(12)13)11-8-10-4-1-2-7-14(10)18-9-11/h1-9H,(H,19,20)
InChIKeyOVHFHMNJLWUGGR-UHFFFAOYSA-N
MW324.18 g/mol
LogP4.54
Rot. Bonds1

About 3-(7-bromo-1H-indazol-3-yl)quinoline

3-(7-bromo-1H-indazol-3-yl)quinoline (PubChem CID 90489640) has the molecular formula C16H10BrN3 and a molecular weight of 324.18 g/mol. Its IUPAC name is 3-(7-bromo-1H-indazol-3-yl)quinoline.

Molecular Properties

Compound Name3-(7-bromo-1H-indazol-3-yl)quinoline
PubChem CID90489640
Molecular FormulaC16H10BrN3
Molecular Weight324.18 g/mol
Exact Mass323.01
IUPAC Name3-(7-bromo-1H-indazol-3-yl)quinoline
SMILESBrc1cccc2c(-c3cnc4ccccc4c3)n[nH]c12
InChIInChI=1S/C16H10BrN3/c17-13-6-3-5-12-15(19-20-16(12)13)11-8-10-4-1-2-7-14(10)18-9-11/h1-9H,(H,19,20)
InChIKeyOVHFHMNJLWUGGR-UHFFFAOYSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-1H-indazol-3-yl)quinoline?
The IUPAC name of 3-(7-bromo-1H-indazol-3-yl)quinoline (CID 90489640) is 3-(7-bromo-1H-indazol-3-yl)quinoline.
What is the SMILES notation for 3-(7-bromo-1H-indazol-3-yl)quinoline?
The canonical SMILES for 3-(7-bromo-1H-indazol-3-yl)quinoline is Brc1cccc2c(-c3cnc4ccccc4c3)n[nH]c12.
What is the InChIKey of 3-(7-bromo-1H-indazol-3-yl)quinoline?
The InChIKey is OVHFHMNJLWUGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3/c17-13-6-3-5-12-15(19-20-16(12)13)11-8-10-4-1-2-7-14(10)18-9-11/h1-9H,(H,19,20).
What are the key properties of 3-(7-bromo-1H-indazol-3-yl)quinoline?
3-(7-bromo-1H-indazol-3-yl)quinoline has a molecular weight of 324.18 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-1H-indazol-3-yl)quinoline is sourced from PubChem (CID 90489640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).