2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide

C20H27N3O3S — CID 22334549

IUPAC2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCn1c(=O)cc(SCC(=O)NCCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C20H27N3O3S/c1-2-23-17-7-4-3-6-16(17)18(14-20(23)25)27-15-19(24)21-8-5-9-22-10-12-26-13-11-22/h3-4,6-7,14H,2,5,8-13,15H2,1H3,(H,21,24)
InChIKeyBKGSJNMBDSVOGY-UHFFFAOYSA-N
MW389.52 g/mol
LogP1.95
Rot. Bonds8

About 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide

2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 22334549) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID22334549
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCn1c(=O)cc(SCC(=O)NCCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C20H27N3O3S/c1-2-23-17-7-4-3-6-16(17)18(14-20(23)25)27-15-19(24)21-8-5-9-22-10-12-26-13-11-22/h3-4,6-7,14H,2,5,8-13,15H2,1H3,(H,21,24)
InChIKeyBKGSJNMBDSVOGY-UHFFFAOYSA-N
XLogP1.95
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 51.95
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

2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 47049412
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20862000
(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 93119934
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 51155960
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide
CID 71701659
3-[bis(4-hydroxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide
CID 67596232
1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one
CID 20864364
3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
CID 103599343
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 42802930
(2R)-N-(3-morpholin-4-ylpropyl)-2-naphthalen-1-yloxybutanamide
CID 38018264

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide (CID 22334549) is 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide is CCn1c(=O)cc(SCC(=O)NCCCN2CCOCC2)c2ccccc21.
What is the InChIKey of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is BKGSJNMBDSVOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-2-23-17-7-4-3-6-16(17)18(14-20(23)25)27-15-19(24)21-8-5-9-22-10-12-26-13-11-22/h3-4,6-7,14H,2,5,8-13,15H2,1H3,(H,21,24).
What are the key properties of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide?
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 389.52 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 22334549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).