methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate

C15H15NO3 — CID 63968055

IUPACmethyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate
SMILESCOC(=O)C(C)CC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H15NO3/c1-10(15(18)19-2)8-14(17)12-5-6-13-11(9-12)4-3-7-16-13/h3-7,9-10H,8H2,1-2H3
InChIKeyXDCPAHMTQFEVQS-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.62
Rot. Bonds4

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

methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate (PubChem CID 63968055) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate
PubChem CID63968055
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate
SMILESCOC(=O)C(C)CC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H15NO3/c1-10(15(18)19-2)8-14(17)12-5-6-13-11(9-12)4-3-7-16-13/h3-7,9-10H,8H2,1-2H3
InChIKeyXDCPAHMTQFEVQS-UHFFFAOYSA-N
XLogP2.62
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one
CID 116576913
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909
methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate
CID 63969521
2,2-dimethoxy-1-quinolin-6-ylethanone
CID 81221029
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
methyl 2-(quinolin-6-ylamino)propanoate
CID 66172945
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
CID 62851157
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate?
The IUPAC name of methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate (CID 63968055) is methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate.
What is the SMILES notation for methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate?
The canonical SMILES for methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate is COC(=O)C(C)CC(=O)c1ccc2ncccc2c1.
What is the InChIKey of methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate?
The InChIKey is XDCPAHMTQFEVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(15(18)19-2)8-14(17)12-5-6-13-11(9-12)4-3-7-16-13/h3-7,9-10H,8H2,1-2H3.
What are the key properties of methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate?
methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate has a molecular weight of 257.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate is sourced from PubChem (CID 63968055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).