2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid

C12H10BrClN2O2 — CID 146585097

IUPAC2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid
SMILESNC(Cc1ccc(Br)c2c(Cl)ccnc12)C(=O)O
InChIInChI=1S/C12H10BrClN2O2/c13-7-2-1-6(5-9(15)12(17)18)11-10(7)8(14)3-4-16-11/h1-4,9H,5,15H2,(H,17,18)
InChIKeyBQLDGUKHMMODCT-UHFFFAOYSA-N
MW329.58 g/mol
LogP2.61
Rot. Bonds3

About 2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid

2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid (PubChem CID 146585097) has the molecular formula C12H10BrClN2O2 and a molecular weight of 329.58 g/mol. Its IUPAC name is 2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid
PubChem CID146585097
Molecular FormulaC12H10BrClN2O2
Molecular Weight329.58 g/mol
Exact Mass327.96
IUPAC Name2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid
SMILESNC(Cc1ccc(Br)c2c(Cl)ccnc12)C(=O)O
InChIInChI=1S/C12H10BrClN2O2/c13-7-2-1-6(5-9(15)12(17)18)11-10(7)8(14)3-4-16-11/h1-4,9H,5,15H2,(H,17,18)
InChIKeyBQLDGUKHMMODCT-UHFFFAOYSA-N
XLogP2.61
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-3-(2-bromo-4-chloro-3-fluorophenyl)propanoic acid
CID 117477835
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
CID 103693022
2-amino-3-(8-bromo-3-fluoroquinolin-5-yl)propanoic acid
CID 146566840
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
2-amino-3-(7-bromo-1,3-benzodioxol-4-yl)propanoic acid
CID 117464647
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 130041515
2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride
CID 154727412
2-amino-3-(2,3-dibromophenyl)propanoic acid
CID 22326254
(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
(2S)-2-amino-3-(8-bromo-7-fluoroquinolin-5-yl)propanoic acid;dihydrochloride
CID 146566758

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid (CID 146585097) is 2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid is NC(Cc1ccc(Br)c2c(Cl)ccnc12)C(=O)O.
What is the InChIKey of 2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid?
The InChIKey is BQLDGUKHMMODCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2/c13-7-2-1-6(5-9(15)12(17)18)11-10(7)8(14)3-4-16-11/h1-4,9H,5,15H2,(H,17,18).
What are the key properties of 2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid?
2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid has a molecular weight of 329.58 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid is sourced from PubChem (CID 146585097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).