ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate

C16H16N2O4 — CID 136903474

IUPACethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(c2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C16H16N2O4/c1-3-21-16(20)11-8-13(22-9(11)2)14-17-12-7-5-4-6-10(12)15(19)18-14/h4-7,13H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyKDJIVFXPUIHYMA-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.22
Rot. Bonds3

About ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate

ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate (PubChem CID 136903474) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate
PubChem CID136903474
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Nameethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(c2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C16H16N2O4/c1-3-21-16(20)11-8-13(22-9(11)2)14-17-12-7-5-4-6-10(12)15(19)18-14/h4-7,13H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyKDJIVFXPUIHYMA-UHFFFAOYSA-N
XLogP2.22
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
CID 135734851
ethyl 1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-ium-4-carboxylate
CID 135612943
2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one
CID 178029081
2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one
CID 137099765
2-(diethoxyphosphorylmethyl)-3H-quinazolin-4-one
CID 167876412
2,2-dimethyl-3-(4-oxo-3H-quinazolin-2-yl)cyclopropane-1-carboxylic acid
CID 135636624
(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate
CID 135734893
ethyl (2R,3R)-2-methyl-3-[(4-oxo-3H-quinazoline-2-carbonyl)amino]butanoate
CID 136718552
(4-oxo-3H-quinazolin-2-yl)methyl 4-tert-butylbenzoate
CID 135734936
ethyl 4-[2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanoylamino]benzoate
CID 136686179
ethyl 5-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 135890805
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate (CID 136903474) is ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C1=C(C)OC(c2nc3ccccc3c(=O)[nH]2)C1.
What is the InChIKey of ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate?
The InChIKey is KDJIVFXPUIHYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-21-16(20)11-8-13(22-9(11)2)14-17-12-7-5-4-6-10(12)15(19)18-14/h4-7,13H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate?
ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 136903474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).