7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid

C11H13NO3 — CID 117193469

IUPAC7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid
SMILESCC1(C(=O)O)CCc2ccc(O)cc2N1
InChIInChI=1S/C11H13NO3/c1-11(10(14)15)5-4-7-2-3-8(13)6-9(7)12-11/h2-3,6,12-13H,4-5H2,1H3,(H,14,15)
InChIKeyROIIMLYEVZMNCD-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.59
Rot. Bonds1

About 7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid

7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid (PubChem CID 117193469) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid
PubChem CID117193469
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid
SMILESCC1(C(=O)O)CCc2ccc(O)cc2N1
InChIInChI=1S/C11H13NO3/c1-11(10(14)15)5-4-7-2-3-8(13)6-9(7)12-11/h2-3,6,12-13H,4-5H2,1H3,(H,14,15)
InChIKeyROIIMLYEVZMNCD-UHFFFAOYSA-N
XLogP1.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid?
The IUPAC name of 7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid (CID 117193469) is 7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid is CC1(C(=O)O)CCc2ccc(O)cc2N1.
What is the InChIKey of 7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid?
The InChIKey is ROIIMLYEVZMNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-11(10(14)15)5-4-7-2-3-8(13)6-9(7)12-11/h2-3,6,12-13H,4-5H2,1H3,(H,14,15).
What are the key properties of 7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid?
7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 117193469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).