1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone

C19H16ClNO2S — CID 46302921

IUPAC1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone
SMILESCOc1cccc2c(C)cc(SCC(=O)c3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H16ClNO2S/c1-12-10-18(21-19-15(12)4-3-5-17(19)23-2)24-11-16(22)13-6-8-14(20)9-7-13/h3-10H,11H2,1-2H3
InChIKeyPQTUSOYLKLEVGI-UHFFFAOYSA-N
MW357.86 g/mol
LogP5.18
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone

1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone (PubChem CID 46302921) has the molecular formula C19H16ClNO2S and a molecular weight of 357.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone
PubChem CID46302921
Molecular FormulaC19H16ClNO2S
Molecular Weight357.86 g/mol
Exact Mass357.06
IUPAC Name1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone
SMILESCOc1cccc2c(C)cc(SCC(=O)c3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H16ClNO2S/c1-12-10-18(21-19-15(12)4-3-5-17(19)23-2)24-11-16(22)13-6-8-14(20)9-7-13/h3-10H,11H2,1-2H3
InChIKeyPQTUSOYLKLEVGI-UHFFFAOYSA-N
XLogP5.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.86
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone with MolForge

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Related Compounds

N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
CID 46302890
N-(2,4-dichlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302825
N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 22695408
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 46302853
N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302871
N-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302357
N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302952
2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetonitrile
CID 22695403
2-[(8-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]benzoic acid
CID 46302924
(4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108764370
3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
CID 46302888
propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 46302834

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone (CID 46302921) is 1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone is COc1cccc2c(C)cc(SCC(=O)c3ccc(Cl)cc3)nc12.
What is the InChIKey of 1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone?
The InChIKey is PQTUSOYLKLEVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2S/c1-12-10-18(21-19-15(12)4-3-5-17(19)23-2)24-11-16(22)13-6-8-14(20)9-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone?
1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone has a molecular weight of 357.86 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone is sourced from PubChem (CID 46302921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).