3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one

C21H22N4OS — CID 18730858

IUPAC3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one
SMILESCCN(CC)c1ccc2nc(-c3nc4ccccc4s3)c(=O)n(CC)c2c1
InChIInChI=1S/C21H22N4OS/c1-4-24(5-2)14-11-12-15-17(13-14)25(6-3)21(26)19(22-15)20-23-16-9-7-8-10-18(16)27-20/h7-13H,4-6H2,1-3H3
InChIKeyFOWRDLVJLFODFX-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.54
Rot. Bonds5

About 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one

3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one (PubChem CID 18730858) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one
PubChem CID18730858
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one
SMILESCCN(CC)c1ccc2nc(-c3nc4ccccc4s3)c(=O)n(CC)c2c1
InChIInChI=1S/C21H22N4OS/c1-4-24(5-2)14-11-12-15-17(13-14)25(6-3)21(26)19(22-15)20-23-16-9-7-8-10-18(16)27-20/h7-13H,4-6H2,1-3H3
InChIKeyFOWRDLVJLFODFX-UHFFFAOYSA-N
XLogP4.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4-dimethoxyphosphanylchromen-2-one
CID 135294150
3-(diethylamino)benzo[b]phenazine-6,11-dione
CID 4080326
1-ethyl-3-thiophen-2-ylquinoxalin-2-one
CID 90202221
bis(3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one);iridium;(Z)-pent-2-ene-2,4-diol
CID 11636602
2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 612337
2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one
CID 56689917
6-(1,3-benzothiazol-2-yl)-9-ethylcarbazole-3-carbaldehyde
CID 141259148
N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59707544
3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one
CID 46197652
4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline
CID 59707533
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
2-[6-(diethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 59859445

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one (CID 18730858) is 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one is CCN(CC)c1ccc2nc(-c3nc4ccccc4s3)c(=O)n(CC)c2c1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one?
The InChIKey is FOWRDLVJLFODFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-4-24(5-2)14-11-12-15-17(13-14)25(6-3)21(26)19(22-15)20-23-16-9-7-8-10-18(16)27-20/h7-13H,4-6H2,1-3H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one?
3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one has a molecular weight of 378.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one is sourced from PubChem (CID 18730858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).