methyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate

C14H15NO4 — CID 54737384

IUPACmethyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1c(O)c2c(C)c(C)ccc2n(C)c1=O
InChIInChI=1S/C14H15NO4/c1-7-5-6-9-10(8(7)2)12(16)11(14(18)19-4)13(17)15(9)3/h5-6,16H,1-4H3
InChIKeyRNDOWDQJQXQRFR-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.65
Rot. Bonds1

About methyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate

methyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate (PubChem CID 54737384) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate
PubChem CID54737384
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1c(O)c2c(C)c(C)ccc2n(C)c1=O
InChIInChI=1S/C14H15NO4/c1-7-5-6-9-10(8(7)2)12(16)11(14(18)19-4)13(17)15(9)3/h5-6,16H,1-4H3
InChIKeyRNDOWDQJQXQRFR-UHFFFAOYSA-N
XLogP1.65
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
CID 59340050
methyl 4-hydroxy-1-methyl-7-nitro-2-oxoquinoline-3-carboxylate
CID 54677611
methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
CID 130194527
dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
CID 14671429
methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
CID 154227733
methyl 2,3-dimethyl-6-(methylperoxymethyl)benzoate
CID 18713679
2-methoxycarbonyl-3,6-dimethylbenzoic acid
CID 103845883
methyl 3-hydroxy-2,4-dimethylbenzoate
CID 118991641
methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
CID 67387665
dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate
CID 164905081
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
trimethyl 4,5,6-trimethylbenzene-1,2,3-tricarboxylate
CID 58142568

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate (CID 54737384) is methyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate is COC(=O)c1c(O)c2c(C)c(C)ccc2n(C)c1=O.
What is the InChIKey of methyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate?
The InChIKey is RNDOWDQJQXQRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-7-5-6-9-10(8(7)2)12(16)11(14(18)19-4)13(17)15(9)3/h5-6,16H,1-4H3.
What are the key properties of methyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate?
methyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1,5,6-trimethyl-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 54737384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).