(5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate

C15H13ClN4O3S — CID 29247844

IUPAC(5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
SMILESCCn1c(=O)c(C)nc2cc(C(=O)OCc3nnsc3Cl)ccc21
InChIInChI=1S/C15H13ClN4O3S/c1-3-20-12-5-4-9(6-10(12)17-8(2)14(20)21)15(22)23-7-11-13(16)24-19-18-11/h4-6H,3,7H2,1-2H3
InChIKeySVIZXNBQVICZDC-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.59
Rot. Bonds4

About (5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate

(5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate (PubChem CID 29247844) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
PubChem CID29247844
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
SMILESCCn1c(=O)c(C)nc2cc(C(=O)OCc3nnsc3Cl)ccc21
InChIInChI=1S/C15H13ClN4O3S/c1-3-20-12-5-4-9(6-10(12)17-8(2)14(20)21)15(22)23-7-11-13(16)24-19-18-11/h4-6H,3,7H2,1-2H3
InChIKeySVIZXNBQVICZDC-UHFFFAOYSA-N
XLogP2.59
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2-fluorophenyl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990718
(3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990724
2-(4-methoxyphenoxy)ethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990928
2-(4-methylphenoxy)ethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519097
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 135680380
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 8673815
[2-(2-methoxyethylamino)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519039
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7991058
[2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7991043
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 8696816
[2-(4-methylsulfanylphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 32932722

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate (CID 29247844) is (5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate is CCn1c(=O)c(C)nc2cc(C(=O)OCc3nnsc3Cl)ccc21.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The InChIKey is SVIZXNBQVICZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c1-3-20-12-5-4-9(6-10(12)17-8(2)14(20)21)15(22)23-7-11-13(16)24-19-18-11/h4-6H,3,7H2,1-2H3.
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
(5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate has a molecular weight of 364.81 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate is sourced from PubChem (CID 29247844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).