4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid

C14H15NO3 — CID 63969311

IUPAC4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid
SMILESCC(CC(O)c1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C14H15NO3/c1-9(14(17)18)7-13(16)11-4-5-12-10(8-11)3-2-6-15-12/h2-6,8-9,13,16H,7H2,1H3,(H,17,18)
InChIKeyOFOFEMOTJGOHPM-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.38
Rot. Bonds4

About 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid

4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid (PubChem CID 63969311) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid
PubChem CID63969311
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid
SMILESCC(CC(O)c1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C14H15NO3/c1-9(14(17)18)7-13(16)11-4-5-12-10(8-11)3-2-6-15-12/h2-6,8-9,13,16H,7H2,1H3,(H,17,18)
InChIKeyOFOFEMOTJGOHPM-UHFFFAOYSA-N
XLogP2.38
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate
CID 63969521
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
2-[hydroxy(quinolin-6-yl)methyl]-3-methylbutanoic acid
CID 63973005
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
2-phenoxy-1-quinolin-6-ylethanol
CID 81220739
2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol
CID 63095266
3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
CID 112753988
4-phenyl-1-quinolin-6-ylbutan-1-ol
CID 63097205
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
2-(tert-butylamino)-1-quinolin-6-ylethanol
CID 81221991
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid?
The IUPAC name of 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid (CID 63969311) is 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid.
What is the SMILES notation for 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid?
The canonical SMILES for 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid is CC(CC(O)c1ccc2ncccc2c1)C(=O)O.
What is the InChIKey of 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid?
The InChIKey is OFOFEMOTJGOHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(14(17)18)7-13(16)11-4-5-12-10(8-11)3-2-6-15-12/h2-6,8-9,13,16H,7H2,1H3,(H,17,18).
What are the key properties of 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid?
4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid is sourced from PubChem (CID 63969311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).