8-ethylsulfanylquinoline-3-carbaldehyde

C12H11NOS — CID 153373916

IUPAC8-ethylsulfanylquinoline-3-carbaldehyde
SMILESCCSc1cccc2cc(C=O)cnc12
InChIInChI=1S/C12H11NOS/c1-2-15-11-5-3-4-10-6-9(8-14)7-13-12(10)11/h3-8H,2H2,1H3
InChIKeyQWNHESHTBIVRDE-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.16
Rot. Bonds3

About 8-ethylsulfanylquinoline-3-carbaldehyde

8-ethylsulfanylquinoline-3-carbaldehyde (PubChem CID 153373916) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 8-ethylsulfanylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name8-ethylsulfanylquinoline-3-carbaldehyde
PubChem CID153373916
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name8-ethylsulfanylquinoline-3-carbaldehyde
SMILESCCSc1cccc2cc(C=O)cnc12
InChIInChI=1S/C12H11NOS/c1-2-15-11-5-3-4-10-6-9(8-14)7-13-12(10)11/h3-8H,2H2,1H3
InChIKeyQWNHESHTBIVRDE-UHFFFAOYSA-N
XLogP3.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-8-methylquinoline-3-carbaldehyde
CID 130113789
6-ethylsulfanylpyridine-3-carbaldehyde
CID 80639990
3-methyl-8-methylsulfanylquinoline
CID 119092882
8-methylsulfanylquinoline-3-carboxylic acid
CID 126609848
8-bromo-6-methylquinoline-3-carbaldehyde
CID 130067119
6-naphthalen-1-ylpyridine-3-carbaldehyde
CID 86720518
5,8-dimethylquinoline-3-carbaldehyde
CID 82111610
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
8-(2-ethylsulfonylethylsulfanyl)quinoline
CID 4191456
quinoline-6,8-dicarbaldehyde
CID 119087265
6,8-dichloroquinoline-3-carbaldehyde
CID 131507049
4-(4-ethylsulfanylphenyl)benzaldehyde
CID 1392870

Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfanylquinoline-3-carbaldehyde?
The IUPAC name of 8-ethylsulfanylquinoline-3-carbaldehyde (CID 153373916) is 8-ethylsulfanylquinoline-3-carbaldehyde.
What is the SMILES notation for 8-ethylsulfanylquinoline-3-carbaldehyde?
The canonical SMILES for 8-ethylsulfanylquinoline-3-carbaldehyde is CCSc1cccc2cc(C=O)cnc12.
What is the InChIKey of 8-ethylsulfanylquinoline-3-carbaldehyde?
The InChIKey is QWNHESHTBIVRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-2-15-11-5-3-4-10-6-9(8-14)7-13-12(10)11/h3-8H,2H2,1H3.
What are the key properties of 8-ethylsulfanylquinoline-3-carbaldehyde?
8-ethylsulfanylquinoline-3-carbaldehyde has a molecular weight of 217.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfanylquinoline-3-carbaldehyde is sourced from PubChem (CID 153373916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).