3-(8-bromoquinolin-3-yl)propanoic acid

C12H10BrNO2 — CID 82667595

IUPAC3-(8-bromoquinolin-3-yl)propanoic acid
SMILESO=C(O)CCc1cnc2c(Br)cccc2c1
InChIInChI=1S/C12H10BrNO2/c13-10-3-1-2-9-6-8(4-5-11(15)16)7-14-12(9)10/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyNPWKNUVGVWCMCB-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.01
Rot. Bonds3

About 3-(8-bromoquinolin-3-yl)propanoic acid

3-(8-bromoquinolin-3-yl)propanoic acid (PubChem CID 82667595) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 3-(8-bromoquinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(8-bromoquinolin-3-yl)propanoic acid
PubChem CID82667595
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name3-(8-bromoquinolin-3-yl)propanoic acid
SMILESO=C(O)CCc1cnc2c(Br)cccc2c1
InChIInChI=1S/C12H10BrNO2/c13-10-3-1-2-9-6-8(4-5-11(15)16)7-14-12(9)10/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyNPWKNUVGVWCMCB-UHFFFAOYSA-N
XLogP3.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-bromoquinolin-3-yl)propanoic acid?
The IUPAC name of 3-(8-bromoquinolin-3-yl)propanoic acid (CID 82667595) is 3-(8-bromoquinolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(8-bromoquinolin-3-yl)propanoic acid?
The canonical SMILES for 3-(8-bromoquinolin-3-yl)propanoic acid is O=C(O)CCc1cnc2c(Br)cccc2c1.
What is the InChIKey of 3-(8-bromoquinolin-3-yl)propanoic acid?
The InChIKey is NPWKNUVGVWCMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c13-10-3-1-2-9-6-8(4-5-11(15)16)7-14-12(9)10/h1-3,6-7H,4-5H2,(H,15,16).
What are the key properties of 3-(8-bromoquinolin-3-yl)propanoic acid?
3-(8-bromoquinolin-3-yl)propanoic acid has a molecular weight of 280.12 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-bromoquinolin-3-yl)propanoic acid is sourced from PubChem (CID 82667595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).