[1,4]benzodithiino[2,3-f]quinoline

C15H9NS2 — CID 141246447

IUPAC[1,4]benzodithiino[2,3-f]quinoline
SMILESc1ccc2c(c1)Sc1ccc3ncccc3c1S2
InChIInChI=1S/C15H9NS2/c1-2-6-13-12(5-1)17-14-8-7-11-10(15(14)18-13)4-3-9-16-11/h1-9H
InChIKeyIGCREGFEOVJBLZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.85
Rot. Bonds

About [1,4]benzodithiino[2,3-f]quinoline

[1,4]benzodithiino[2,3-f]quinoline (PubChem CID 141246447) has the molecular formula C15H9NS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is [1,4]benzodithiino[2,3-f]quinoline.

Molecular Properties

Compound Name[1,4]benzodithiino[2,3-f]quinoline
PubChem CID141246447
Molecular FormulaC15H9NS2
Molecular Weight267.38 g/mol
Exact Mass267.02
IUPAC Name[1,4]benzodithiino[2,3-f]quinoline
SMILESc1ccc2c(c1)Sc1ccc3ncccc3c1S2
InChIInChI=1S/C15H9NS2/c1-2-6-13-12(5-1)17-14-8-7-11-10(15(14)18-13)4-3-9-16-11/h1-9H
InChIKeyIGCREGFEOVJBLZ-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1,4]benzodithiino[2,3-f]quinoline with MolForge

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Related Compounds

(1Z,7Z,13Z,19E)-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1,3,5,7,9,11,13,15,17,19,21(26),22,24,27-tetradecaene
CID 134428620
25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene
CID 137294888
benzo[f]quinoline;iodomethane
CID 21121996
20-thia-8-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene
CID 56947472
8,25-diazaheptacyclo[16.12.0.02,15.04,13.07,12.020,29.021,26]triaconta-1(18),2(15),3,5,7(12),8,10,13,19,21(26),22,24,27,29-tetradecaene
CID 170710818
1,7-phenanthroline;dihydrochloride
CID 174688507
1,7-phenanthroline;vanadium
CID 174318955
2-thianthren-1-yl-1,3-oxazole
CID 159693848
2-chloropyrido[3,2-f]quinoxaline
CID 129033345
2-[4-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]pyridine
CID 134176005
8-[3-[3-phenyl-5-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-[1,4]benzodithiino[2,3-b]pyridine
CID 169291446
6-bromoquinoline-5-thiol
CID 136981755

Frequently Asked Questions

What is the IUPAC name of [1,4]benzodithiino[2,3-f]quinoline?
The IUPAC name of [1,4]benzodithiino[2,3-f]quinoline (CID 141246447) is [1,4]benzodithiino[2,3-f]quinoline.
What is the SMILES notation for [1,4]benzodithiino[2,3-f]quinoline?
The canonical SMILES for [1,4]benzodithiino[2,3-f]quinoline is c1ccc2c(c1)Sc1ccc3ncccc3c1S2.
What is the InChIKey of [1,4]benzodithiino[2,3-f]quinoline?
The InChIKey is IGCREGFEOVJBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NS2/c1-2-6-13-12(5-1)17-14-8-7-11-10(15(14)18-13)4-3-9-16-11/h1-9H.
What are the key properties of [1,4]benzodithiino[2,3-f]quinoline?
[1,4]benzodithiino[2,3-f]quinoline has a molecular weight of 267.38 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4]benzodithiino[2,3-f]quinoline is sourced from PubChem (CID 141246447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).