8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline

C22H15NS — CID 10592162

IUPAC8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline
SMILESCc1ccc2c(-c3ccccc3)c3c(nc2c1)sc1ccccc13
InChIInChI=1S/C22H15NS/c1-14-11-12-16-18(13-14)23-22-21(17-9-5-6-10-19(17)24-22)20(16)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyKVVHRHVZCYTQDJ-UHFFFAOYSA-N
MW325.44 g/mol
LogP6.58
Rot. Bonds1

About 8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline

8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline (PubChem CID 10592162) has the molecular formula C22H15NS and a molecular weight of 325.44 g/mol. Its IUPAC name is 8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline.

Molecular Properties

Compound Name8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline
PubChem CID10592162
Molecular FormulaC22H15NS
Molecular Weight325.44 g/mol
Exact Mass325.09
IUPAC Name8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline
SMILESCc1ccc2c(-c3ccccc3)c3c(nc2c1)sc1ccccc13
InChIInChI=1S/C22H15NS/c1-14-11-12-16-18(13-14)23-22-21(17-9-5-6-10-19(17)24-22)20(16)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyKVVHRHVZCYTQDJ-UHFFFAOYSA-N
XLogP6.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.44
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 138662837
11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 138661940
11-[4-(3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 138662840
8-[4-[2-[4-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-11-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 145421918
1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene
CID 59195925
5-[3-[3-([1]benzothiolo[2,3-b]quinolin-11-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138662504
11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 138662844
7-methyl-2,4-diphenylquinoline
CID 13048584
6-methyl-2,3-diphenyl-1-benzothiophene
CID 13027057
17-methyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17,20-decaene
CID 89117299
4,6-diphenyl-2-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)pyrimidine
CID 162712659
11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline
CID 138661461

Frequently Asked Questions

What is the IUPAC name of 8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline?
The IUPAC name of 8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline (CID 10592162) is 8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline.
What is the SMILES notation for 8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline?
The canonical SMILES for 8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline is Cc1ccc2c(-c3ccccc3)c3c(nc2c1)sc1ccccc13.
What is the InChIKey of 8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline?
The InChIKey is KVVHRHVZCYTQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NS/c1-14-11-12-16-18(13-14)23-22-21(17-9-5-6-10-19(17)24-22)20(16)15-7-3-2-4-8-15/h2-13H,1H3.
What are the key properties of 8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline?
8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline has a molecular weight of 325.44 g/mol, XLogP of 6.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-11-phenyl-[1]benzothiolo[2,3-b]quinoline is sourced from PubChem (CID 10592162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).