7-chloro-[1]benzothiolo[3,2-b]quinoxaline

C14H7ClN2S — CID 156801307

IUPAC7-chloro-[1]benzothiolo[3,2-b]quinoxaline
SMILESClc1cccc2nc3c(nc12)sc1ccccc13
InChIInChI=1S/C14H7ClN2S/c15-9-5-3-6-10-13(9)17-14-12(16-10)8-4-1-2-7-11(8)18-14/h1-7H
InChIKeyIXTMAVPOOOSDKK-UHFFFAOYSA-N
MW270.74 g/mol
LogP4.65
Rot. Bonds

About 7-chloro-[1]benzothiolo[3,2-b]quinoxaline

7-chloro-[1]benzothiolo[3,2-b]quinoxaline (PubChem CID 156801307) has the molecular formula C14H7ClN2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 7-chloro-[1]benzothiolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name7-chloro-[1]benzothiolo[3,2-b]quinoxaline
PubChem CID156801307
Molecular FormulaC14H7ClN2S
Molecular Weight270.74 g/mol
Exact Mass270.00
IUPAC Name7-chloro-[1]benzothiolo[3,2-b]quinoxaline
SMILESClc1cccc2nc3c(nc12)sc1ccccc13
InChIInChI=1S/C14H7ClN2S/c15-9-5-3-6-10-13(9)17-14-12(16-10)8-4-1-2-7-11(8)18-14/h1-7H
InChIKeyIXTMAVPOOOSDKK-UHFFFAOYSA-N
XLogP4.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

18-chloro-23-thia-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene
CID 139337272
4-chlorocinnolino[4,3-b]quinoxaline
CID 10445667
4-chloro-2-naphthalen-1-yl-1,3-benzothiazole
CID 50850248
4-chloro-9-phenoxyacridine
CID 71390850
9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]quinoxaline
CID 152932695
3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine
CID 177086881
3,4-dichloro-[1]benzothiolo[2,3-b]pyridine
CID 12580094
1-(2-chlorophenyl)phenazine
CID 175026808
11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[3,2-b]quinoline
CID 138661918
4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine
CID 90196949
5-chloro-3-(2-chlorophenyl)-N-methylquinoxalin-2-amine
CID 174610026
2,9-bis(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]quinoxaline
CID 134273564

Frequently Asked Questions

What is the IUPAC name of 7-chloro-[1]benzothiolo[3,2-b]quinoxaline?
The IUPAC name of 7-chloro-[1]benzothiolo[3,2-b]quinoxaline (CID 156801307) is 7-chloro-[1]benzothiolo[3,2-b]quinoxaline.
What is the SMILES notation for 7-chloro-[1]benzothiolo[3,2-b]quinoxaline?
The canonical SMILES for 7-chloro-[1]benzothiolo[3,2-b]quinoxaline is Clc1cccc2nc3c(nc12)sc1ccccc13.
What is the InChIKey of 7-chloro-[1]benzothiolo[3,2-b]quinoxaline?
The InChIKey is IXTMAVPOOOSDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN2S/c15-9-5-3-6-10-13(9)17-14-12(16-10)8-4-1-2-7-11(8)18-14/h1-7H.
What are the key properties of 7-chloro-[1]benzothiolo[3,2-b]quinoxaline?
7-chloro-[1]benzothiolo[3,2-b]quinoxaline has a molecular weight of 270.74 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-[1]benzothiolo[3,2-b]quinoxaline is sourced from PubChem (CID 156801307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).