2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde

C17H12ClNO2S — CID 802094

IUPAC2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde
SMILESCOc1ccc2nc(Sc3ccc(Cl)cc3)c(C=O)cc2c1
InChIInChI=1S/C17H12ClNO2S/c1-21-14-4-7-16-11(9-14)8-12(10-20)17(19-16)22-15-5-2-13(18)3-6-15/h2-10H,1H3
InChIKeyWXFOPYVKVNPEHO-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.86
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde

2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde (PubChem CID 802094) has the molecular formula C17H12ClNO2S and a molecular weight of 329.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde
PubChem CID802094
Molecular FormulaC17H12ClNO2S
Molecular Weight329.81 g/mol
Exact Mass329.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde
SMILESCOc1ccc2nc(Sc3ccc(Cl)cc3)c(C=O)cc2c1
InChIInChI=1S/C17H12ClNO2S/c1-21-14-4-7-16-11(9-14)8-12(10-20)17(19-16)22-15-5-2-13(18)3-6-15/h2-10H,1H3
InChIKeyWXFOPYVKVNPEHO-UHFFFAOYSA-N
XLogP4.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[[2-(4-chlorophenyl)sulfanyl-6-methoxyquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17101170
2-(3-formyl-6-methoxyquinolin-2-yl)sulfanylacetic acid
CID 3731867
(5E)-3-acetyl-5-[[2-(4-chlorophenyl)sulfanyl-6-methoxyquinolin-3-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 17101168
(4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 5294619
2-phenylsulfanylquinoline-3-carbaldehyde
CID 55238193
6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde
CID 88861626
6-methoxy-2-phenylquinoline-3-carbaldehyde
CID 833679
2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline
CID 2777722
1-(2-chloro-6-methoxyquinolin-3-yl)-N-methylmethanimine;hydrate
CID 166706707
6-methoxy-2-(propylamino)quinoline-3-carbaldehyde
CID 86669817
2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-4-methoxybenzaldehyde
CID 50922958
1-(4-chlorophenyl)sulfanyl-4-methoxy-2-nitrobenzene
CID 91875623

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde (CID 802094) is 2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde is COc1ccc2nc(Sc3ccc(Cl)cc3)c(C=O)cc2c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde?
The InChIKey is WXFOPYVKVNPEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2S/c1-21-14-4-7-16-11(9-14)8-12(10-20)17(19-16)22-15-5-2-13(18)3-6-15/h2-10H,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde?
2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde has a molecular weight of 329.81 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde is sourced from PubChem (CID 802094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).