methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate

C12H12N2O4 — CID 714468

IUPACmethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
SMILESCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O
InChIInChI=1S/C12H12N2O4/c1-3-14-10(15)8-5-4-7(11(16)18-2)6-9(8)13-12(14)17/h4-6H,3H2,1-2H3,(H,13,17)
InChIKeyLOFNHACDWNOGEM-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.50
Rot. Bonds2

About methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate

methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate (PubChem CID 714468) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
PubChem CID714468
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Namemethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
SMILESCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O
InChIInChI=1S/C12H12N2O4/c1-3-14-10(15)8-5-4-7(11(16)18-2)6-9(8)13-12(14)17/h4-6H,3H2,1-2H3,(H,13,17)
InChIKeyLOFNHACDWNOGEM-UHFFFAOYSA-N
XLogP0.50
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-methylsulfanylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 166180675
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
methyl 3-[6-(butylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 4091974
N-(5-chloro-2,4-dimethoxyphenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811394
methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 25335953
methyl 3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 51937874
2-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetic acid
CID 27440469
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate
CID 168900268
2-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]-3-methylbutanoic acid
CID 119170339
N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 56522577
1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 154749732

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate?
The IUPAC name of methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate (CID 714468) is methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate.
What is the SMILES notation for methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate?
The canonical SMILES for methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate is CCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O.
What is the InChIKey of methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate?
The InChIKey is LOFNHACDWNOGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-3-14-10(15)8-5-4-7(11(16)18-2)6-9(8)13-12(14)17/h4-6H,3H2,1-2H3,(H,13,17).
What are the key properties of methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate?
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate has a molecular weight of 248.24 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate is sourced from PubChem (CID 714468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).