2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide

C19H24ClN3O3S — CID 3245470

IUPAC2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCn1c(=O)cc(SCC(=O)NCCCN2CCOCC2)c2ccc(Cl)cc21
InChIInChI=1S/C19H24ClN3O3S/c1-22-16-11-14(20)3-4-15(16)17(12-19(22)25)27-13-18(24)21-5-2-6-23-7-9-26-10-8-23/h3-4,11-12H,2,5-10,13H2,1H3,(H,21,24)
InChIKeyLFIGOPUQSSVGOM-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.12
Rot. Bonds7

About 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide

2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 3245470) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID3245470
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCn1c(=O)cc(SCC(=O)NCCCN2CCOCC2)c2ccc(Cl)cc21
InChIInChI=1S/C19H24ClN3O3S/c1-22-16-11-14(20)3-4-15(16)17(12-19(22)25)27-13-18(24)21-5-2-6-23-7-9-26-10-8-23/h3-4,11-12H,2,5-10,13H2,1H3,(H,21,24)
InChIKeyLFIGOPUQSSVGOM-UHFFFAOYSA-N
XLogP2.12
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-morpholin-4-ylphenyl)-2-{[N-(4-methylphenyl)carbamoyl]methylthio}acetamide
CID 3656225
7-Chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one
CID 3237837
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 3244551
Ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate
CID 3244639
2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-(2-cyclohex-1-en-1-ylethyl)acetamide
CID 12005016
2-[(6-Chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]-N-[2-(cyclohex-1-EN-1-YL)ethyl]acetamide
CID 12005028
4-({2-[4-(5-Chloro-2-methylphenyl)piperazino]-2-oxoethyl}sulfanyl)-1-methyl-2(1H)-quinolinone
CID 16002937
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(N-ethyl-3-methylanilino)propyl]acetamide
CID 16020452
N-[(4-Chlorophenyl)methyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]acetamide
CID 16034492
2-[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 16550985
N-(3-chloro-2-methylphenyl)-2-((1-(3-morpholinopropyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578552
N-[2-(4-Chlorophenyl)ethyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]acetamide
CID 16008582

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide (CID 3245470) is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide is Cn1c(=O)cc(SCC(=O)NCCCN2CCOCC2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is LFIGOPUQSSVGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-22-16-11-14(20)3-4-15(16)17(12-19(22)25)27-13-18(24)21-5-2-6-23-7-9-26-10-8-23/h3-4,11-12H,2,5-10,13H2,1H3,(H,21,24).
What are the key properties of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 409.94 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 3245470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).