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

C18H15NOS — CID 14022292

IUPAC6-propoxy-[1]benzothiolo[2,3-c]quinoline
SMILESCCCOc1nc2ccccc2c2c1sc1ccccc12
InChIInChI=1S/C18H15NOS/c1-2-11-20-18-17-16(12-7-3-5-9-14(12)19-18)13-8-4-6-10-15(13)21-17/h3-10H,2,11H2,1H3
InChIKeyHOHGDZQIHXSOHT-UHFFFAOYSA-N
MW293.39 g/mol
LogP5.39
Rot. Bonds3

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

6-propoxy-[1]benzothiolo[2,3-c]quinoline (PubChem CID 14022292) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 6-propoxy-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name6-propoxy-[1]benzothiolo[2,3-c]quinoline
PubChem CID14022292
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name6-propoxy-[1]benzothiolo[2,3-c]quinoline
SMILESCCCOc1nc2ccccc2c2c1sc1ccccc12
InChIInChI=1S/C18H15NOS/c1-2-11-20-18-17-16(12-7-3-5-9-14(12)19-18)13-8-4-6-10-15(13)21-17/h3-10H,2,11H2,1H3
InChIKeyHOHGDZQIHXSOHT-UHFFFAOYSA-N
XLogP5.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.39
LogP ≤ 55.39
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-propoxy-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 6-propoxy-[1]benzothiolo[2,3-c]quinoline (CID 14022292) is 6-propoxy-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 6-propoxy-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 6-propoxy-[1]benzothiolo[2,3-c]quinoline is CCCOc1nc2ccccc2c2c1sc1ccccc12.
What is the InChIKey of 6-propoxy-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is HOHGDZQIHXSOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-2-11-20-18-17-16(12-7-3-5-9-14(12)19-18)13-8-4-6-10-15(13)21-17/h3-10H,2,11H2,1H3.
What are the key properties of 6-propoxy-[1]benzothiolo[2,3-c]quinoline?
6-propoxy-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 293.39 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 14022292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).