1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide

C19H16N4O4S — CID 24564378

IUPAC1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc4ccc(OC)cc4s3)ccc21
InChIInChI=1S/C19H16N4O4S/c1-3-23-14-7-4-10(8-13(14)20-17(25)18(23)26)16(24)22-19-21-12-6-5-11(27-2)9-15(12)28-19/h4-9H,3H2,1-2H3,(H,20,25)(H,21,22,24)
InChIKeySFJHCFFJCVMYCV-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.58
Rot. Bonds4

About 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide

1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 24564378) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID24564378
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC Name1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc4ccc(OC)cc4s3)ccc21
InChIInChI=1S/C19H16N4O4S/c1-3-23-14-7-4-10(8-13(14)20-17(25)18(23)26)16(24)22-19-21-12-6-5-11(27-2)9-15(12)28-19/h4-9H,3H2,1-2H3,(H,20,25)(H,21,22,24)
InChIKeySFJHCFFJCVMYCV-UHFFFAOYSA-N
XLogP2.58
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7578979
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
4-[(S)-amino(phenyl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 110876919
2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871469
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide
CID 24564408
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26620345
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 112764496

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 24564378) is 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc4ccc(OC)cc4s3)ccc21.
What is the InChIKey of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is SFJHCFFJCVMYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-3-23-14-7-4-10(8-13(14)20-17(25)18(23)26)16(24)22-19-21-12-6-5-11(27-2)9-15(12)28-19/h4-9H,3H2,1-2H3,(H,20,25)(H,21,22,24).
What are the key properties of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide?
1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 24564378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).