3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole

C20H15N3S — CID 163939052

IUPAC3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole
SMILESCc1nc2ccccc2nc1-c1[nH]c(C)c2sc3ccccc3c12
InChIInChI=1S/C20H15N3S/c1-11-18(23-15-9-5-4-8-14(15)21-11)19-17-13-7-3-6-10-16(13)24-20(17)12(2)22-19/h3-10,22H,1-2H3
InChIKeyYVTQGMHYXMGMRK-UHFFFAOYSA-N
MW329.43 g/mol
LogP5.61
Rot. Bonds1

About 3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole

3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole (PubChem CID 163939052) has the molecular formula C20H15N3S and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole.

Molecular Properties

Compound Name3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole
PubChem CID163939052
Molecular FormulaC20H15N3S
Molecular Weight329.43 g/mol
Exact Mass329.10
IUPAC Name3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole
SMILESCc1nc2ccccc2nc1-c1[nH]c(C)c2sc3ccccc3c12
InChIInChI=1S/C20H15N3S/c1-11-18(23-15-9-5-4-8-14(15)21-11)19-17-13-7-3-6-10-16(13)24-20(17)12(2)22-19/h3-10,22H,1-2H3
InChIKeyYVTQGMHYXMGMRK-UHFFFAOYSA-N
XLogP5.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,3,4,5-tetramethylphenyl)-[1]benzothiolo[2,3-c]quinoline
CID 167354777
6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 129134458
3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline
CID 159945206
6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline
CID 129086165
4-phenyl-2-(3-thiahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)quinazoline
CID 154595766
1-methyldibenzothiophene
CID 23839
2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118245250
4-([1]benzothiolo[2,3-c]quinolin-6-yl)benzonitrile
CID 167354939
6-(4-tert-butylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]quinoline
CID 167354335
12-chloro-[1]benzothiolo[2,3-i]phenanthridine
CID 145067213
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-thia-24-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 145067398
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129087636

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole?
The IUPAC name of 3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole (CID 163939052) is 3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole.
What is the SMILES notation for 3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole?
The canonical SMILES for 3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole is Cc1nc2ccccc2nc1-c1[nH]c(C)c2sc3ccccc3c12.
What is the InChIKey of 3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole?
The InChIKey is YVTQGMHYXMGMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3S/c1-11-18(23-15-9-5-4-8-14(15)21-11)19-17-13-7-3-6-10-16(13)24-20(17)12(2)22-19/h3-10,22H,1-2H3.
What are the key properties of 3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole?
3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole has a molecular weight of 329.43 g/mol, XLogP of 5.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylquinoxalin-2-yl)-2H-[1]benzothiolo[2,3-c]pyrrole is sourced from PubChem (CID 163939052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).