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

C17H13NOS — CID 4116721

IUPAC6-ethoxy-[1]benzothiolo[2,3-c]quinoline
SMILESCCOc1nc2ccccc2c2c1sc1ccccc12
InChIInChI=1S/C17H13NOS/c1-2-19-17-16-15(11-7-3-5-9-13(11)18-17)12-8-4-6-10-14(12)20-16/h3-10H,2H2,1H3
InChIKeyGHISCAITJXVFDQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP5.00
Rot. Bonds2

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

6-ethoxy-[1]benzothiolo[2,3-c]quinoline (PubChem CID 4116721) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is 6-ethoxy-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name6-ethoxy-[1]benzothiolo[2,3-c]quinoline
PubChem CID4116721
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name6-ethoxy-[1]benzothiolo[2,3-c]quinoline
SMILESCCOc1nc2ccccc2c2c1sc1ccccc12
InChIInChI=1S/C17H13NOS/c1-2-19-17-16-15(11-7-3-5-9-13(11)18-17)12-8-4-6-10-14(12)20-16/h3-10H,2H2,1H3
InChIKeyGHISCAITJXVFDQ-UHFFFAOYSA-N
XLogP5.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.36
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-{[(2-Methyl-1,3-Benzothiazol-5-Yl)oxy]methyl}quinoline
CID 73659153
rac-2-(3-(1-(6-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11530223
Thiazolo(5,4-c)isoquinoline, 5-butoxy-2-methyl-
CID 3057679
9-Methoxythiochromeno[4,3-b]indole
CID 423058
3-(3-Methoxy-1-benzothiophen-2-yl)quinoline
CID 11312364
2-Methoxy-5-methyl-[1]benzothiolo[3,2-b]quinolin-5-ium iodide
CID 44422481
2-Methoxy-5-methyl-benzothiopheno[3,2-b]quinolin-5-ium
CID 44422482
7-Methoxy-5-methyl-[1]benzothiolo[3,2-b]quinolin-5-ium iodide
CID 53319816
7-Methoxy-5-methyl-benzothiopheno[3,2-b]quinolin-5-ium
CID 53319817
8-Methoxy-5-methyl-[1]benzothiolo[3,2-b]quinolin-5-ium iodide
CID 53319818
8-Methoxy-5-methyl-benzothiopheno[3,2-b]quinolin-5-ium
CID 53319819
1-Methoxy-5-methyl-benzothiopheno[3,2-b]quinolin-5-ium
CID 53321109

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 6-ethoxy-[1]benzothiolo[2,3-c]quinoline (CID 4116721) is 6-ethoxy-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 6-ethoxy-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 6-ethoxy-[1]benzothiolo[2,3-c]quinoline is CCOc1nc2ccccc2c2c1sc1ccccc12.
What is the InChIKey of 6-ethoxy-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is GHISCAITJXVFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c1-2-19-17-16-15(11-7-3-5-9-13(11)18-17)12-8-4-6-10-14(12)20-16/h3-10H,2H2,1H3.
What are the key properties of 6-ethoxy-[1]benzothiolo[2,3-c]quinoline?
6-ethoxy-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 279.36 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 4116721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).