[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate

C20H20N4O5 — CID 55466757

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate
SMILESCc1ccc2nc(C)c(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc2c1
InChIInChI=1S/C20H20N4O5/c1-10-5-6-14-12(7-10)8-13(11(2)22-14)19(27)29-9-15(25)16-17(21)23(3)20(28)24(4)18(16)26/h5-8H,9,21H2,1-4H3
InChIKeyWOLKKUZFTGUEDA-UHFFFAOYSA-N
MW396.40 g/mol
LogP0.87
Rot. Bonds4

About [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate (PubChem CID 55466757) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate
PubChem CID55466757
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate
SMILESCc1ccc2nc(C)c(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc2c1
InChIInChI=1S/C20H20N4O5/c1-10-5-6-14-12(7-10)8-13(11(2)22-14)19(27)29-9-15(25)16-17(21)23(3)20(28)24(4)18(16)26/h5-8H,9,21H2,1-4H3
InChIKeyWOLKKUZFTGUEDA-UHFFFAOYSA-N
XLogP0.87
TPSA126.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate with MolForge

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Related Compounds

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 5001808
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 27560764
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2115643
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 16514869
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-iodobenzoate
CID 2476680
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2116726
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-chlorobenzoate
CID 2360817
6-amino-5-[2-(3,5-dimethylphenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 42887461
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-nitrobenzoate
CID 2352495
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16503059
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 2469228
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 2473333

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate (CID 55466757) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate is Cc1ccc2nc(C)c(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc2c1.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate?
The InChIKey is WOLKKUZFTGUEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-10-5-6-14-12(7-10)8-13(11(2)22-14)19(27)29-9-15(25)16-17(21)23(3)20(28)24(4)18(16)26/h5-8H,9,21H2,1-4H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate has a molecular weight of 396.40 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 55466757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).