3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole

C18H15NOS — CID 10493963

IUPAC3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole
SMILESCOc1ccc(-c2scc3c4ccccc4n(C)c23)cc1
InChIInChI=1S/C18H15NOS/c1-19-16-6-4-3-5-14(16)15-11-21-18(17(15)19)12-7-9-13(20-2)10-8-12/h3-11H,1-2H3
InChIKeyJUDBVQAMRVESIT-UHFFFAOYSA-N
MW293.39 g/mol
LogP5.07
Rot. Bonds2

About 3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole

3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole (PubChem CID 10493963) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole
PubChem CID10493963
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole
SMILESCOc1ccc(-c2scc3c4ccccc4n(C)c23)cc1
InChIInChI=1S/C18H15NOS/c1-19-16-6-4-3-5-14(16)15-11-21-18(17(15)19)12-7-9-13(20-2)10-8-12/h3-11H,1-2H3
InChIKeyJUDBVQAMRVESIT-UHFFFAOYSA-N
XLogP5.07
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.39
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole 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

1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872
5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole
CID 56931368
9-methoxy-5-methylcyclohepta[b]indol-6-one
CID 10561977
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole
CID 155676892
2-(4-methoxyphenyl)-9-methylcarbazol-4-ol
CID 155167849
3-iodo-4-(4-methoxyphenyl)-9-methylcarbazole
CID 139045597
2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione
CID 132607636
ethane;bis(9-methylcarbazole)
CID 159710949
2-butyl-3,4-bis(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-1-one
CID 135059898
11-methyl-3-(6-methylnaphthalen-2-yl)benzo[a]carbazole
CID 58410457
1-chloro-2-methoxy-9-methylcarbazole
CID 10634135

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole?
The IUPAC name of 3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole (CID 10493963) is 3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole?
The canonical SMILES for 3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole is COc1ccc(-c2scc3c4ccccc4n(C)c23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole?
The InChIKey is JUDBVQAMRVESIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-19-16-6-4-3-5-14(16)15-11-21-18(17(15)19)12-7-9-13(20-2)10-8-12/h3-11H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole?
3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole has a molecular weight of 293.39 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole is sourced from PubChem (CID 10493963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).