(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate

C19H19N3O4 — CID 18130626

IUPAC(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate
SMILESCc1ccc2nc(C)cc(C(=O)OCc3cc(=O)n(C)c(=O)n3C)c2c1
InChIInChI=1S/C19H19N3O4/c1-11-5-6-16-14(7-11)15(8-12(2)20-16)18(24)26-10-13-9-17(23)22(4)19(25)21(13)3/h5-9H,10H2,1-4H3
InChIKeyLGTIXHDEOZKHBH-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.61
Rot. Bonds3

About (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate

(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate (PubChem CID 18130626) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Name(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate
PubChem CID18130626
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate
SMILESCc1ccc2nc(C)cc(C(=O)OCc3cc(=O)n(C)c(=O)n3C)c2c1
InChIInChI=1S/C19H19N3O4/c1-11-5-6-16-14(7-11)15(8-12(2)20-16)18(24)26-10-13-9-17(23)22(4)19(25)21(13)3/h5-9H,10H2,1-4H3
InChIKeyLGTIXHDEOZKHBH-UHFFFAOYSA-N
XLogP1.61
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-amino-4-fluorobenzoate
CID 46687411
phenyl 2,6-dimethylquinoline-4-carboxylate
CID 18076219
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]benzoate
CID 46675238
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate
CID 35795704
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,6-dimethylquinoline-4-carboxylate
CID 18085554
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 46675193
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate
CID 35778472
benzyl 2-methylquinoline-4-carboxylate
CID 804130
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55477191
benzyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 164676582
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 55479274

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate?
The IUPAC name of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate (CID 18130626) is (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate.
What is the SMILES notation for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate?
The canonical SMILES for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate is Cc1ccc2nc(C)cc(C(=O)OCc3cc(=O)n(C)c(=O)n3C)c2c1.
What is the InChIKey of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate?
The InChIKey is LGTIXHDEOZKHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11-5-6-16-14(7-11)15(8-12(2)20-16)18(24)26-10-13-9-17(23)22(4)19(25)21(13)3/h5-9H,10H2,1-4H3.
What are the key properties of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate?
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2,6-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 18130626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).