methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate

C17H14N2O6 — CID 135687200

IUPACmethyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3occc3C)nc2c1
InChIInChI=1S/C17H14N2O6/c1-9-5-6-24-14(9)17(22)25-8-13-18-12-7-10(16(21)23-2)3-4-11(12)15(20)19-13/h3-7H,8H2,1-2H3,(H,18,19,20)
InChIKeyRUFOWOLSEJJBNQ-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.97
Rot. Bonds4

About methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate

methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate (PubChem CID 135687200) has the molecular formula C17H14N2O6 and a molecular weight of 342.31 g/mol. Its IUPAC name is methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
PubChem CID135687200
Molecular FormulaC17H14N2O6
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Namemethyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3occc3C)nc2c1
InChIInChI=1S/C17H14N2O6/c1-9-5-6-24-14(9)17(22)25-8-13-18-12-7-10(16(21)23-2)3-4-11(12)15(20)19-13/h3-7H,8H2,1-2H3,(H,18,19,20)
InChIKeyRUFOWOLSEJJBNQ-UHFFFAOYSA-N
XLogP1.97
TPSA111.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(2,3-dimethylbenzoyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135549131
methyl 4-oxo-2-[(2,4,5-trichlorophenoxy)methyl]-3H-quinazoline-7-carboxylate
CID 135887550
methyl 2-[3-(4-tert-butylphenyl)propanoyloxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135814860
methyl 2-[(2,5-dichlorophenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135836476
methyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoyloxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135670697
methyl 2-[(N-methylanilino)methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135549207
methyl 4-oxo-2-[(N'-propylcarbamimidoyl)sulfanylmethyl]-3H-quinazoline-7-carboxylate
CID 135729701
methyl 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 154769313
methyl 2-methylsulfanyl-4-oxo-3H-quinazoline-7-carboxylate
CID 135657698
methyl 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135814848
methyl 2-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135697646
methyl 4-oxo-2-[(N'-phenylcarbamimidoyl)sulfanylmethyl]-3H-quinazoline-7-carboxylate
CID 135729673

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate?
The IUPAC name of methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate (CID 135687200) is methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate.
What is the SMILES notation for methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate?
The canonical SMILES for methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate is COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3occc3C)nc2c1.
What is the InChIKey of methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate?
The InChIKey is RUFOWOLSEJJBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6/c1-9-5-6-24-14(9)17(22)25-8-13-18-12-7-10(16(21)23-2)3-4-11(12)15(20)19-13/h3-7H,8H2,1-2H3,(H,18,19,20).
What are the key properties of methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate?
methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate has a molecular weight of 342.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate is sourced from PubChem (CID 135687200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).