methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate

C13H15NO3 — CID 68501471

IUPACmethyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate
SMILESCOC(=O)c1cccc2c1NC(=O)CC2(C)C
InChIInChI=1S/C13H15NO3/c1-13(2)7-10(15)14-11-8(12(16)17-3)5-4-6-9(11)13/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyWAQLGKGQKIVSIR-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.09
Rot. Bonds1

About methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate

methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate (PubChem CID 68501471) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate
PubChem CID68501471
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate
SMILESCOC(=O)c1cccc2c1NC(=O)CC2(C)C
InChIInChI=1S/C13H15NO3/c1-13(2)7-10(15)14-11-8(12(16)17-3)5-4-6-9(11)13/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyWAQLGKGQKIVSIR-UHFFFAOYSA-N
XLogP2.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-8-yl)acetamide
CID 57177979
methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate
CID 115095927
methyl 3-oxo-4H-1,4-benzoxazine-5-carboxylate
CID 59153381
methyl 3,3-dimethyl-4-oxo-2,5-dihydro-1H-1,5-benzodiazepine-6-carboxylate
CID 115098711
methyl 2,2-dimethyl-3-oxo-4H-1,4-benzothiazine-5-carboxylate
CID 115096573
methyl 3,3-dimethyl-2-oxo-4H-1,4-benzothiazine-5-carboxylate
CID 115095853
methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate
CID 127243793
methyl 3,3-dimethyl-1,1,2-trioxo-4H-1λ6,4-benzothiazine-5-carboxylate
CID 115095848
methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate
CID 11085000
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 1,1,2-trioxo-3,4-dihydro-1λ6,4-benzothiazine-5-carboxylate
CID 115095731

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate?
The IUPAC name of methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate (CID 68501471) is methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate.
What is the SMILES notation for methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate?
The canonical SMILES for methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate is COC(=O)c1cccc2c1NC(=O)CC2(C)C.
What is the InChIKey of methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate?
The InChIKey is WAQLGKGQKIVSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(2)7-10(15)14-11-8(12(16)17-3)5-4-6-9(11)13/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate?
methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate is sourced from PubChem (CID 68501471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).