6-phenyl-[1]benzothiolo[2,3-c]quinoline

C21H13NS — CID 129134458

IUPAC6-phenyl-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2nc3ccccc3c3c2sc2ccccc23)cc1
InChIInChI=1S/C21H13NS/c1-2-8-14(9-3-1)20-21-19(15-10-4-6-12-17(15)22-20)16-11-5-7-13-18(16)23-21/h1-13H
InChIKeyGZHPAPKRBMBAPB-UHFFFAOYSA-N
MW311.41 g/mol
LogP6.27
Rot. Bonds1

About 6-phenyl-[1]benzothiolo[2,3-c]quinoline

6-phenyl-[1]benzothiolo[2,3-c]quinoline (PubChem CID 129134458) has the molecular formula C21H13NS and a molecular weight of 311.41 g/mol. Its IUPAC name is 6-phenyl-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name6-phenyl-[1]benzothiolo[2,3-c]quinoline
PubChem CID129134458
Molecular FormulaC21H13NS
Molecular Weight311.41 g/mol
Exact Mass311.08
IUPAC Name6-phenyl-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2nc3ccccc3c3c2sc2ccccc23)cc1
InChIInChI=1S/C21H13NS/c1-2-8-14(9-3-1)20-21-19(15-10-4-6-12-17(15)22-20)16-11-5-7-13-18(16)23-21/h1-13H
InChIKeyGZHPAPKRBMBAPB-UHFFFAOYSA-N
XLogP6.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.41
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-phenyl-[1]benzothiolo[2,3-c]quinoline 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-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129087636
4-([1]benzothiolo[2,3-c]quinolin-6-yl)benzonitrile
CID 167354939
6-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 163841629
6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline
CID 171407347
11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 162703566
6-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 163602817
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-tert-butylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]quinoline
CID 167354335
6-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 163432035
18-(2,4-diphenylpyrimidin-5-yl)-3-thia-19-azahexacyclo[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-dodecaene
CID 145067375
6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159603642
6-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline
CID 155019111

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 6-phenyl-[1]benzothiolo[2,3-c]quinoline (CID 129134458) is 6-phenyl-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 6-phenyl-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 6-phenyl-[1]benzothiolo[2,3-c]quinoline is c1ccc(-c2nc3ccccc3c3c2sc2ccccc23)cc1.
What is the InChIKey of 6-phenyl-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is GZHPAPKRBMBAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NS/c1-2-8-14(9-3-1)20-21-19(15-10-4-6-12-17(15)22-20)16-11-5-7-13-18(16)23-21/h1-13H.
What are the key properties of 6-phenyl-[1]benzothiolo[2,3-c]quinoline?
6-phenyl-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 311.41 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 129134458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).