ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate

C11H14N2O4 — CID 15284090

IUPACethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
SMILESCCOC(=O)C1CCc2[nH]c(=O)[nH]c(=O)c2C1
InChIInChI=1S/C11H14N2O4/c1-2-17-10(15)6-3-4-8-7(5-6)9(14)13-11(16)12-8/h6H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyXJIILPGXGGYZQF-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.27
Rot. Bonds2

About ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate

ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate (PubChem CID 15284090) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
PubChem CID15284090
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
SMILESCCOC(=O)C1CCc2[nH]c(=O)[nH]c(=O)c2C1
InChIInChI=1S/C11H14N2O4/c1-2-17-10(15)6-3-4-8-7(5-6)9(14)13-11(16)12-8/h6H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyXJIILPGXGGYZQF-UHFFFAOYSA-N
XLogP-0.27
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-oxo-1,2,4,5,6,7-hexahydroindazole-5-carboxylate
CID 129009642
3-bromo-6-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
CID 66604417
ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
CID 23559459
ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
CID 90376570
ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 86330706
ethyl (1R)-3-oxocyclohexane-1-carboxylate
CID 6933063
ethyl 3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxylate
CID 91811780
ethyl 4-oxo-3,5,6,7,8,9-hexahydropyrimido[4,5-b]indole-6-carboxylate;ethyl 4-[(6-oxo-1H-pyrimidin-4-yl)hydrazinylidene]cyclohexane-1-carboxylate
CID 159247074
ethyl 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate
CID 3245515
(2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid
CID 70300017
ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate
CID 70850765
ethyl 5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate
CID 73030532

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate?
The IUPAC name of ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate (CID 15284090) is ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate.
What is the SMILES notation for ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate?
The canonical SMILES for ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate is CCOC(=O)C1CCc2[nH]c(=O)[nH]c(=O)c2C1.
What is the InChIKey of ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate?
The InChIKey is XJIILPGXGGYZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-17-10(15)6-3-4-8-7(5-6)9(14)13-11(16)12-8/h6H,2-5H2,1H3,(H2,12,13,14,16).
What are the key properties of ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate?
ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate has a molecular weight of 238.24 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate is sourced from PubChem (CID 15284090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).