8-methoxy-5-methyl-1H-quinoline-4-thione

C11H11NOS — CID 84620575

IUPAC8-methoxy-5-methyl-1H-quinoline-4-thione
SMILESCOc1ccc(C)c2c(=S)cc[nH]c12
InChIInChI=1S/C11H11NOS/c1-7-3-4-8(13-2)11-10(7)9(14)5-6-12-11/h3-6H,1-2H3,(H,12,14)
InChIKeyQYCSUTPMYRHTSB-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.21
Rot. Bonds1

About 8-methoxy-5-methyl-1H-quinoline-4-thione

8-methoxy-5-methyl-1H-quinoline-4-thione (PubChem CID 84620575) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 8-methoxy-5-methyl-1H-quinoline-4-thione.

Molecular Properties

Compound Name8-methoxy-5-methyl-1H-quinoline-4-thione
PubChem CID84620575
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name8-methoxy-5-methyl-1H-quinoline-4-thione
SMILESCOc1ccc(C)c2c(=S)cc[nH]c12
InChIInChI=1S/C11H11NOS/c1-7-3-4-8(13-2)11-10(7)9(14)5-6-12-11/h3-6H,1-2H3,(H,12,14)
InChIKeyQYCSUTPMYRHTSB-UHFFFAOYSA-N
XLogP3.21
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-8-methyl-1H-quinoline-4-thione
CID 50877749
3-isocyanato-7-methoxy-4-methyl-1H-indole
CID 84619822
7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 82373470
2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-2-amine
CID 84627124
(7-methoxy-3,4-dimethyl-1H-indol-2-yl)methanol
CID 84620551
[1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine
CID 82500166
3-bromo-4,7-dimethoxy-1H-indole
CID 13285273
3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde
CID 82391920
2-amino-3-(7-methoxy-4-methyl-1H-indol-3-yl)propanoic acid
CID 82383509
3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione
CID 10704674
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
(7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 96679890

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-1H-quinoline-4-thione?
The IUPAC name of 8-methoxy-5-methyl-1H-quinoline-4-thione (CID 84620575) is 8-methoxy-5-methyl-1H-quinoline-4-thione.
What is the SMILES notation for 8-methoxy-5-methyl-1H-quinoline-4-thione?
The canonical SMILES for 8-methoxy-5-methyl-1H-quinoline-4-thione is COc1ccc(C)c2c(=S)cc[nH]c12.
What is the InChIKey of 8-methoxy-5-methyl-1H-quinoline-4-thione?
The InChIKey is QYCSUTPMYRHTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-7-3-4-8(13-2)11-10(7)9(14)5-6-12-11/h3-6H,1-2H3,(H,12,14).
What are the key properties of 8-methoxy-5-methyl-1H-quinoline-4-thione?
8-methoxy-5-methyl-1H-quinoline-4-thione has a molecular weight of 205.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-1H-quinoline-4-thione is sourced from PubChem (CID 84620575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).