2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid

C12H10BrNO3 — CID 82251611

IUPAC2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CC(=O)O
InChIInChI=1S/C12H10BrNO3/c1-6-8(5-11(15)16)12(17)9-4-7(13)2-3-10(9)14-6/h2-4H,5H2,1H3,(H,14,17)(H,15,16)
InChIKeyCTUUVYPBTPDMKC-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.23
Rot. Bonds2

About 2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid

2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid (PubChem CID 82251611) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid
PubChem CID82251611
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid
SMILESCc1[nH]c2ccc(Br)cc2c(=O)c1CC(=O)O
InChIInChI=1S/C12H10BrNO3/c1-6-8(5-11(15)16)12(17)9-4-7(13)2-3-10(9)14-6/h2-4H,5H2,1H3,(H,14,17)(H,15,16)
InChIKeyCTUUVYPBTPDMKC-UHFFFAOYSA-N
XLogP2.23
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid?
The IUPAC name of 2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid (CID 82251611) is 2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid?
The canonical SMILES for 2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid is Cc1[nH]c2ccc(Br)cc2c(=O)c1CC(=O)O.
What is the InChIKey of 2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid?
The InChIKey is CTUUVYPBTPDMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-6-8(5-11(15)16)12(17)9-4-7(13)2-3-10(9)14-6/h2-4H,5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid?
2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid has a molecular weight of 296.12 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid is sourced from PubChem (CID 82251611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).