7-bromofuro[2,3-c]quinoline-2-carbonitrile

C12H5BrN2O — CID 172599368

IUPAC7-bromofuro[2,3-c]quinoline-2-carbonitrile
SMILESN#Cc1cc2c(cnc3cc(Br)ccc32)o1
InChIInChI=1S/C12H5BrN2O/c13-7-1-2-9-10-4-8(5-14)16-12(10)6-15-11(9)3-7/h1-4,6H
InChIKeyUARWYFJSBUPRRU-UHFFFAOYSA-N
MW273.09 g/mol
LogP3.62
Rot. Bonds

About 7-bromofuro[2,3-c]quinoline-2-carbonitrile

7-bromofuro[2,3-c]quinoline-2-carbonitrile (PubChem CID 172599368) has the molecular formula C12H5BrN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 7-bromofuro[2,3-c]quinoline-2-carbonitrile.

Molecular Properties

Compound Name7-bromofuro[2,3-c]quinoline-2-carbonitrile
PubChem CID172599368
Molecular FormulaC12H5BrN2O
Molecular Weight273.09 g/mol
Exact Mass271.96
IUPAC Name7-bromofuro[2,3-c]quinoline-2-carbonitrile
SMILESN#Cc1cc2c(cnc3cc(Br)ccc32)o1
InChIInChI=1S/C12H5BrN2O/c13-7-1-2-9-10-4-8(5-14)16-12(10)6-15-11(9)3-7/h1-4,6H
InChIKeyUARWYFJSBUPRRU-UHFFFAOYSA-N
XLogP3.62
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-bromofuro[2,3-c]quinoline-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromofuro[2,3-c]quinoline-2-carbonitrile?
The IUPAC name of 7-bromofuro[2,3-c]quinoline-2-carbonitrile (CID 172599368) is 7-bromofuro[2,3-c]quinoline-2-carbonitrile.
What is the SMILES notation for 7-bromofuro[2,3-c]quinoline-2-carbonitrile?
The canonical SMILES for 7-bromofuro[2,3-c]quinoline-2-carbonitrile is N#Cc1cc2c(cnc3cc(Br)ccc32)o1.
What is the InChIKey of 7-bromofuro[2,3-c]quinoline-2-carbonitrile?
The InChIKey is UARWYFJSBUPRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrN2O/c13-7-1-2-9-10-4-8(5-14)16-12(10)6-15-11(9)3-7/h1-4,6H.
What are the key properties of 7-bromofuro[2,3-c]quinoline-2-carbonitrile?
7-bromofuro[2,3-c]quinoline-2-carbonitrile has a molecular weight of 273.09 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromofuro[2,3-c]quinoline-2-carbonitrile is sourced from PubChem (CID 172599368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).