[2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

C20H16N4O4S — CID 24686471

IUPAC[2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1nc2sc(C(=O)OCC(=O)Nc3cccc4ncccc34)c(C)c2c(=O)[nH]1
InChIInChI=1S/C20H16N4O4S/c1-10-16-18(26)22-11(2)23-19(16)29-17(10)20(27)28-9-15(25)24-14-7-3-6-13-12(14)5-4-8-21-13/h3-8H,9H2,1-2H3,(H,24,25)(H,22,23,26)
InChIKeyIMJLFAJATRNUFX-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.95
Rot. Bonds4

About [2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

[2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 24686471) has the molecular formula C20H16N4O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is [2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID24686471
Molecular FormulaC20H16N4O4S
Molecular Weight408.44 g/mol
Exact Mass408.09
IUPAC Name[2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1nc2sc(C(=O)OCC(=O)Nc3cccc4ncccc34)c(C)c2c(=O)[nH]1
InChIInChI=1S/C20H16N4O4S/c1-10-16-18(26)22-11(2)23-19(16)29-17(10)20(27)28-9-15(25)24-14-7-3-6-13-12(14)5-4-8-21-13/h3-8H,9H2,1-2H3,(H,24,25)(H,22,23,26)
InChIKeyIMJLFAJATRNUFX-UHFFFAOYSA-N
XLogP2.95
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7625490
[2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate
CID 41352483
[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate
CID 41332969
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7625523
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7625426
2-oxopropyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 42978314
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 18099821
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 43023326
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 18081048
[2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46543109
[2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate
CID 17485524
ethyl 2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate
CID 4991098

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of [2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate (CID 24686471) is [2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for [2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for [2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate is Cc1nc2sc(C(=O)OCC(=O)Nc3cccc4ncccc34)c(C)c2c(=O)[nH]1.
What is the InChIKey of [2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is IMJLFAJATRNUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S/c1-10-16-18(26)22-11(2)23-19(16)29-17(10)20(27)28-9-15(25)24-14-7-3-6-13-12(14)5-4-8-21-13/h3-8H,9H2,1-2H3,(H,24,25)(H,22,23,26).
What are the key properties of [2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
[2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 408.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(quinolin-5-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 24686471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).