1-bromofuro[3,2-f]quinoline-2-carboxylic acid

C12H6BrNO3 — CID 175548798

IUPAC1-bromofuro[3,2-f]quinoline-2-carboxylic acid
SMILESO=C(O)c1oc2ccc3ncccc3c2c1Br
InChIInChI=1S/C12H6BrNO3/c13-10-9-6-2-1-5-14-7(6)3-4-8(9)17-11(10)12(15)16/h1-5H,(H,15,16)
InChIKeyNVSSAUZFJVIESC-UHFFFAOYSA-N
MW292.09 g/mol
LogP3.44
Rot. Bonds1

About 1-bromofuro[3,2-f]quinoline-2-carboxylic acid

1-bromofuro[3,2-f]quinoline-2-carboxylic acid (PubChem CID 175548798) has the molecular formula C12H6BrNO3 and a molecular weight of 292.09 g/mol. Its IUPAC name is 1-bromofuro[3,2-f]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-bromofuro[3,2-f]quinoline-2-carboxylic acid
PubChem CID175548798
Molecular FormulaC12H6BrNO3
Molecular Weight292.09 g/mol
Exact Mass290.95
IUPAC Name1-bromofuro[3,2-f]quinoline-2-carboxylic acid
SMILESO=C(O)c1oc2ccc3ncccc3c2c1Br
InChIInChI=1S/C12H6BrNO3/c13-10-9-6-2-1-5-14-7(6)3-4-8(9)17-11(10)12(15)16/h1-5H,(H,15,16)
InChIKeyNVSSAUZFJVIESC-UHFFFAOYSA-N
XLogP3.44
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.09
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-aminoquinoline-6-carboxylic acid
CID 13221190
3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one
CID 134855870
(2R)-2-amino-2-quinolin-5-ylacetic acid
CID 39733719
5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine
CID 166801450
5-bromoquinoline-6-carbonitrile
CID 175111450
3-(2-carboxy-1-benzofuran-3-yl)-1-benzofuran-2-carboxylic acid
CID 164666500
6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one
CID 59457780
2-bromofuro[3,2-b]pyridine-3-carboxylic acid
CID 82622087
(3-bromofuran-2-yl)-quinolin-5-ylmethanone
CID 105101672
(2R)-2-amino-2-phenyl-1-quinolin-5-ylethanone
CID 104891139
1-bromo-2-methylfuro[2,3-c]quinoline
CID 144872720
(5-aminoquinolin-6-yl) hydrogen carbonate
CID 70482347

Frequently Asked Questions

What is the IUPAC name of 1-bromofuro[3,2-f]quinoline-2-carboxylic acid?
The IUPAC name of 1-bromofuro[3,2-f]quinoline-2-carboxylic acid (CID 175548798) is 1-bromofuro[3,2-f]quinoline-2-carboxylic acid.
What is the SMILES notation for 1-bromofuro[3,2-f]quinoline-2-carboxylic acid?
The canonical SMILES for 1-bromofuro[3,2-f]quinoline-2-carboxylic acid is O=C(O)c1oc2ccc3ncccc3c2c1Br.
What is the InChIKey of 1-bromofuro[3,2-f]quinoline-2-carboxylic acid?
The InChIKey is NVSSAUZFJVIESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrNO3/c13-10-9-6-2-1-5-14-7(6)3-4-8(9)17-11(10)12(15)16/h1-5H,(H,15,16).
What are the key properties of 1-bromofuro[3,2-f]quinoline-2-carboxylic acid?
1-bromofuro[3,2-f]quinoline-2-carboxylic acid has a molecular weight of 292.09 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromofuro[3,2-f]quinoline-2-carboxylic acid is sourced from PubChem (CID 175548798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).