2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole

C17H11ClN2OS — CID 8537265

IUPAC2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole
SMILESClc1ccc(OCc2nc3ccccc3s2)c2ncccc12
InChIInChI=1S/C17H11ClN2OS/c18-12-7-8-14(17-11(12)4-3-9-19-17)21-10-16-20-13-5-1-2-6-15(13)22-16/h1-9H,10H2
InChIKeyWDBAJCNOKRBEIV-UHFFFAOYSA-N
MW326.81 g/mol
LogP5.08
Rot. Bonds3

About 2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole

2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole (PubChem CID 8537265) has the molecular formula C17H11ClN2OS and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole
PubChem CID8537265
Molecular FormulaC17H11ClN2OS
Molecular Weight326.81 g/mol
Exact Mass326.03
IUPAC Name2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole
SMILESClc1ccc(OCc2nc3ccccc3s2)c2ncccc12
InChIInChI=1S/C17H11ClN2OS/c18-12-7-8-14(17-11(12)4-3-9-19-17)21-10-16-20-13-5-1-2-6-15(13)22-16/h1-9H,10H2
InChIKeyWDBAJCNOKRBEIV-UHFFFAOYSA-N
XLogP5.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.81
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 104631328
[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 115761235
[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558658
4-(1,3-benzothiazol-2-ylmethoxy)-3,5-dichloroaniline
CID 104630885
2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde
CID 104631097
5-chloro-8-(imidazo[1,2-a]pyridin-2-ylmethoxy)quinoline
CID 804228
5-chloro-8-(5-chloropentoxy)quinoline
CID 43348411
2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine
CID 146440815
CID 12945983
CID 12945983
2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile
CID 2714599
[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate
CID 139798301
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole (CID 8537265) is 2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole is Clc1ccc(OCc2nc3ccccc3s2)c2ncccc12.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole?
The InChIKey is WDBAJCNOKRBEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2OS/c18-12-7-8-14(17-11(12)4-3-9-19-17)21-10-16-20-13-5-1-2-6-15(13)22-16/h1-9H,10H2.
What are the key properties of 2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole?
2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole has a molecular weight of 326.81 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole is sourced from PubChem (CID 8537265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).