3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid

C12H11BrN2O2 — CID 84815402

IUPAC3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid
SMILESCc1nc(CCC(=O)O)nc2cccc(Br)c12
InChIInChI=1S/C12H11BrN2O2/c1-7-12-8(13)3-2-4-9(12)15-10(14-7)5-6-11(16)17/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyRDYXUJHZGPKYMV-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.72
Rot. Bonds3

About 3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid

3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid (PubChem CID 84815402) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid
PubChem CID84815402
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid
SMILESCc1nc(CCC(=O)O)nc2cccc(Br)c12
InChIInChI=1S/C12H11BrN2O2/c1-7-12-8(13)3-2-4-9(12)15-10(14-7)5-6-11(16)17/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyRDYXUJHZGPKYMV-UHFFFAOYSA-N
XLogP2.72
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine
CID 84811801
5-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 61355427
3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid
CID 84812557
3-(4-bromo-1H-indol-3-yl)propanoic acid
CID 28806342
3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid
CID 137289722
3-(5-methoxy-2-methylquinolin-4-yl)propanoic acid
CID 82577999
3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 84743539
5-bromo-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 54939756
3-(8-bromo-3-ethoxycarbonyl-2-methylquinolin-4-yl)propanoic acid
CID 167448655
(5-fluoro-4-methylquinazolin-2-yl)methanol
CID 177177290
3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
CID 22717208
3-(7-bromobenzotriazol-1-yl)propanoic acid
CID 83681324

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid?
The IUPAC name of 3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid (CID 84815402) is 3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid?
The canonical SMILES for 3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid is Cc1nc(CCC(=O)O)nc2cccc(Br)c12.
What is the InChIKey of 3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid?
The InChIKey is RDYXUJHZGPKYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-7-12-8(13)3-2-4-9(12)15-10(14-7)5-6-11(16)17/h2-4H,5-6H2,1H3,(H,16,17).
What are the key properties of 3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid?
3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid has a molecular weight of 295.14 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid is sourced from PubChem (CID 84815402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).