ethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate

C12H12N2O4 — CID 135454319

IUPACethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]cnc2c(C)c1O
InChIInChI=1S/C12H12N2O4/c1-3-18-12(17)8-4-7-9(6(2)10(8)15)13-5-14-11(7)16/h4-5,15H,3H2,1-2H3,(H,13,14,16)
InChIKeyMJHFTNSTEXGBHM-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.11
Rot. Bonds2

About ethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate

ethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate (PubChem CID 135454319) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is ethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate
PubChem CID135454319
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Nameethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]cnc2c(C)c1O
InChIInChI=1S/C12H12N2O4/c1-3-18-12(17)8-4-7-9(6(2)10(8)15)13-5-14-11(7)16/h4-5,15H,3H2,1-2H3,(H,13,14,16)
InChIKeyMJHFTNSTEXGBHM-UHFFFAOYSA-N
XLogP1.11
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-oxo-3H-quinazoline-6-carboxylate
CID 135742218
6,7,8-trimethyl-3H-quinazolin-4-one
CID 137284029
ethyl 6-(chloromethyl)-1H-benzimidazole-4-carboxylate
CID 131449396
ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 54697099
ethyl 7-bromo-3H-benzimidazole-4-carboxylate
CID 131300267
ethyl 6-nitro-1H-benzimidazole-4-carboxylate
CID 121232287
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
ethyl 5-bromo-2-hydroxy-3-methyl-4-methylsulfanylbenzoate
CID 676949
ethyl 5-fluoro-1H-imidazole-4-carboxylate
CID 158522577
ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate
CID 122358525
ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 57360922
ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 133093299

Frequently Asked Questions

What is the IUPAC name of ethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate?
The IUPAC name of ethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate (CID 135454319) is ethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate.
What is the SMILES notation for ethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate?
The canonical SMILES for ethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate is CCOC(=O)c1cc2c(=O)[nH]cnc2c(C)c1O.
What is the InChIKey of ethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate?
The InChIKey is MJHFTNSTEXGBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-3-18-12(17)8-4-7-9(6(2)10(8)15)13-5-14-11(7)16/h4-5,15H,3H2,1-2H3,(H,13,14,16).
What are the key properties of ethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate?
ethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate has a molecular weight of 248.24 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate is sourced from PubChem (CID 135454319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).