[1,3]benzothiazolo[4,5-h]quinoline

C14H8N2S — CID 69275376

IUPAC[1,3]benzothiazolo[4,5-h]quinoline
SMILESc1cnc2c(c1)ccc1c2ccc2scnc21
InChIInChI=1S/C14H8N2S/c1-2-9-3-4-11-10(13(9)15-7-1)5-6-12-14(11)16-8-17-12/h1-8H
InChIKeySAFSECRCYPBHDL-UHFFFAOYSA-N
MW236.30 g/mol
LogP4.00
Rot. Bonds

About [1,3]benzothiazolo[4,5-h]quinoline

[1,3]benzothiazolo[4,5-h]quinoline (PubChem CID 69275376) has the molecular formula C14H8N2S and a molecular weight of 236.30 g/mol. Its IUPAC name is [1,3]benzothiazolo[4,5-h]quinoline.

Molecular Properties

Compound Name[1,3]benzothiazolo[4,5-h]quinoline
PubChem CID69275376
Molecular FormulaC14H8N2S
Molecular Weight236.30 g/mol
Exact Mass236.04
IUPAC Name[1,3]benzothiazolo[4,5-h]quinoline
SMILESc1cnc2c(c1)ccc1c2ccc2scnc21
InChIInChI=1S/C14H8N2S/c1-2-9-3-4-11-10(13(9)15-7-1)5-6-12-14(11)16-8-17-12/h1-8H
InChIKeySAFSECRCYPBHDL-UHFFFAOYSA-N
XLogP4.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

benzo[h]quinolin-7-yl(trimethyl)phosphanium
CID 59782114
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
benzo[h]quinoline;naphthalene
CID 175017782
CID 87856781
CID 87856781
3,18-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1,3,5,7,9(23),10,12(24),13,15,17,19,21-dodecaene
CID 27931
[1,3]benzothiazolo[4,5-h]quinoline 1-oxide
CID 67832025

Frequently Asked Questions

What is the IUPAC name of [1,3]benzothiazolo[4,5-h]quinoline?
The IUPAC name of [1,3]benzothiazolo[4,5-h]quinoline (CID 69275376) is [1,3]benzothiazolo[4,5-h]quinoline.
What is the SMILES notation for [1,3]benzothiazolo[4,5-h]quinoline?
The canonical SMILES for [1,3]benzothiazolo[4,5-h]quinoline is c1cnc2c(c1)ccc1c2ccc2scnc21.
What is the InChIKey of [1,3]benzothiazolo[4,5-h]quinoline?
The InChIKey is SAFSECRCYPBHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2S/c1-2-9-3-4-11-10(13(9)15-7-1)5-6-12-14(11)16-8-17-12/h1-8H.
What are the key properties of [1,3]benzothiazolo[4,5-h]quinoline?
[1,3]benzothiazolo[4,5-h]quinoline has a molecular weight of 236.30 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]benzothiazolo[4,5-h]quinoline is sourced from PubChem (CID 69275376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).