8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid

C12H11NO3 — CID 746967

IUPAC8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid
SMILESCc1cc(C)c2ccc(C(=O)O)nc2c1O
InChIInChI=1S/C12H11NO3/c1-6-5-7(2)11(14)10-8(6)3-4-9(13-10)12(15)16/h3-5,14H,1-2H3,(H,15,16)
InChIKeyHNQUASTWMINBKK-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.26
Rot. Bonds1

About 8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid

8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid (PubChem CID 746967) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid
PubChem CID746967
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid
SMILESCc1cc(C)c2ccc(C(=O)O)nc2c1O
InChIInChI=1S/C12H11NO3/c1-6-5-7(2)11(14)10-8(6)3-4-9(13-10)12(15)16/h3-5,14H,1-2H3,(H,15,16)
InChIKeyHNQUASTWMINBKK-UHFFFAOYSA-N
XLogP2.26
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid?
The IUPAC name of 8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid (CID 746967) is 8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid.
What is the SMILES notation for 8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid?
The canonical SMILES for 8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid is Cc1cc(C)c2ccc(C(=O)O)nc2c1O.
What is the InChIKey of 8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid?
The InChIKey is HNQUASTWMINBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-6-5-7(2)11(14)10-8(6)3-4-9(13-10)12(15)16/h3-5,14H,1-2H3,(H,15,16).
What are the key properties of 8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid?
8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5,7-dimethylquinoline-2-carboxylic acid is sourced from PubChem (CID 746967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).