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

C24H19ClN4O5 — CID 2115643

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
SMILESCn1c(N)c(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(=O)n(C)c1=O
InChIInChI=1S/C24H19ClN4O5/c1-28-21(26)20(22(31)29(2)24(28)33)19(30)12-34-23(32)16-11-18(13-7-9-14(25)10-8-13)27-17-6-4-3-5-15(16)17/h3-11H,12,26H2,1-2H3
InChIKeyFIRZSTTXKBMHMH-UHFFFAOYSA-N
MW478.89 g/mol
LogP2.57
Rot. Bonds5

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

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate (PubChem CID 2115643) has the molecular formula C24H19ClN4O5 and a molecular weight of 478.89 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
PubChem CID2115643
Molecular FormulaC24H19ClN4O5
Molecular Weight478.89 g/mol
Exact Mass478.10
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
SMILESCn1c(N)c(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(=O)n(C)c1=O
InChIInChI=1S/C24H19ClN4O5/c1-28-21(26)20(22(31)29(2)24(28)33)19(30)12-34-23(32)16-11-18(13-7-9-14(25)10-8-13)27-17-6-4-3-5-15(16)17/h3-11H,12,26H2,1-2H3
InChIKeyFIRZSTTXKBMHMH-UHFFFAOYSA-N
XLogP2.57
TPSA126.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.89
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-chlorobenzoate
CID 2360817
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2114772
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] (3Z)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 98418066
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 16526311
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2358734
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 9081679
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate
CID 55466757
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
[2-(4-chlorophenyl)-2-oxoethyl] 2-[4-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]phenyl]quinoline-4-carboxylate
CID 98214229
(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 7701146
(4-tert-butylphenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 4317216
6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione
CID 2374294

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate (CID 2115643) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate is Cn1c(N)c(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is FIRZSTTXKBMHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O5/c1-28-21(26)20(22(31)29(2)24(28)33)19(30)12-34-23(32)16-11-18(13-7-9-14(25)10-8-13)27-17-6-4-3-5-15(16)17/h3-11H,12,26H2,1-2H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 478.89 g/mol, XLogP of 2.57, 5 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-(4-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2115643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).