methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate

C14H16N2O4 — CID 118658750

IUPACmethyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate
SMILESCCn1c(=O)c2cc(C(=O)OC)ccc2n(CC)c1=O
InChIInChI=1S/C14H16N2O4/c1-4-15-11-7-6-9(13(18)20-3)8-10(11)12(17)16(5-2)14(15)19/h6-8H,4-5H2,1-3H3
InChIKeyFXWARIRTGFKMOC-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.99
Rot. Bonds3

About methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate

methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate (PubChem CID 118658750) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate
PubChem CID118658750
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate
SMILESCCn1c(=O)c2cc(C(=O)OC)ccc2n(CC)c1=O
InChIInChI=1S/C14H16N2O4/c1-4-15-11-7-6-9(13(18)20-3)8-10(11)12(17)16(5-2)14(15)19/h6-8H,4-5H2,1-3H3
InChIKeyFXWARIRTGFKMOC-UHFFFAOYSA-N
XLogP0.99
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[1-ethyl-6-[(4-methoxyphenyl)methylcarbamoyl]-2,4-dioxoquinazolin-3-yl]methyl]benzoate
CID 70147886
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate
CID 68883697
(E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide
CID 118658180
methyl 1-methyl-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-carboxylate
CID 174470959
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
(3-cyano-1-ethyl-6-methoxycarbonylindol-2-yl)boronic acid
CID 71681252
methyl 1,2-diethylbenzimidazole-5-carboxylate
CID 167201887
N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 4093912
1,3-diethyl-6-methoxycarbonyl-2-oxobenzimidazole-5-carboxylic acid
CID 139906989
6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 139626680
diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate
CID 11359009

Frequently Asked Questions

What is the IUPAC name of methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate?
The IUPAC name of methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate (CID 118658750) is methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate.
What is the SMILES notation for methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate?
The canonical SMILES for methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate is CCn1c(=O)c2cc(C(=O)OC)ccc2n(CC)c1=O.
What is the InChIKey of methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate?
The InChIKey is FXWARIRTGFKMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-4-15-11-7-6-9(13(18)20-3)8-10(11)12(17)16(5-2)14(15)19/h6-8H,4-5H2,1-3H3.
What are the key properties of methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate?
methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate is sourced from PubChem (CID 118658750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).