methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate

C15H17NO3 — CID 63969521

IUPACmethyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate
SMILESCOC(=O)C(C)CC(O)c1ccc2ncccc2c1
InChIInChI=1S/C15H17NO3/c1-10(15(18)19-2)8-14(17)12-5-6-13-11(9-12)4-3-7-16-13/h3-7,9-10,14,17H,8H2,1-2H3
InChIKeyPGHMFSRVDQRHNH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.47
Rot. Bonds4

About methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate

methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate (PubChem CID 63969521) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate
PubChem CID63969521
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate
SMILESCOC(=O)C(C)CC(O)c1ccc2ncccc2c1
InChIInChI=1S/C15H17NO3/c1-10(15(18)19-2)8-14(17)12-5-6-13-11(9-12)4-3-7-16-13/h3-7,9-10,14,17H,8H2,1-2H3
InChIKeyPGHMFSRVDQRHNH-UHFFFAOYSA-N
XLogP2.47
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid
CID 63969311
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839
methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
CID 171864271
methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate
CID 63968055
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
CID 112753988
2-(tert-butylamino)-1-quinolin-6-ylethanol
CID 81221991
methyl 2-(quinolin-6-ylamino)propanoate
CID 66172945
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
ethyl 3,4-dihydroxy-4-quinolin-6-ylbutanoate
CID 171897595

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate?
The IUPAC name of methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate (CID 63969521) is methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate.
What is the SMILES notation for methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate?
The canonical SMILES for methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate is COC(=O)C(C)CC(O)c1ccc2ncccc2c1.
What is the InChIKey of methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate?
The InChIKey is PGHMFSRVDQRHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10(15(18)19-2)8-14(17)12-5-6-13-11(9-12)4-3-7-16-13/h3-7,9-10,14,17H,8H2,1-2H3.
What are the key properties of methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate?
methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate has a molecular weight of 259.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate is sourced from PubChem (CID 63969521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).