methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate

C11H12N2O3 — CID 156503281

IUPACmethyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CNC(=O)N2C
InChIInChI=1S/C11H12N2O3/c1-13-9-4-3-7(10(14)16-2)5-8(9)6-12-11(13)15/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyHNGKACOQQSXHTE-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.13
Rot. Bonds1

About methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate

methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate (PubChem CID 156503281) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate
PubChem CID156503281
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CNC(=O)N2C
InChIInChI=1S/C11H12N2O3/c1-13-9-4-3-7(10(14)16-2)5-8(9)6-12-11(13)15/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyHNGKACOQQSXHTE-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate
CID 91671836
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6-iodo-1-methyl-3,4-dihydroquinazolin-2-one
CID 22413793
methyl 3-(hydroxymethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylate
CID 25138935
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methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
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ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
methyl 7-methyl-1-oxo-2,3-dihydroisoindole-5-carboxylate
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5-methoxycarbonyl-2-pyrrolidin-1-ylbenzoic acid
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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate?
The IUPAC name of methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate (CID 156503281) is methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate.
What is the SMILES notation for methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate?
The canonical SMILES for methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate is COC(=O)c1ccc2c(c1)CNC(=O)N2C.
What is the InChIKey of methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate?
The InChIKey is HNGKACOQQSXHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-13-9-4-3-7(10(14)16-2)5-8(9)6-12-11(13)15/h3-5H,6H2,1-2H3,(H,12,15).
What are the key properties of methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate?
methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate is sourced from PubChem (CID 156503281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).