N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide

C26H31ClN4O3 — CID 3244048

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCn1c(=O)cc(OCC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C26H31ClN4O3/c1-2-31-23-10-4-3-9-22(23)24(18-26(31)33)34-19-25(32)28-11-6-12-29-13-15-30(16-14-29)21-8-5-7-20(27)17-21/h3-5,7-10,17-18H,2,6,11-16,19H2,1H3,(H,28,32)
InChIKeyCCOPWNUUIGRDLJ-UHFFFAOYSA-N
MW483.01 g/mol
LogP3.38
Rot. Bonds9

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide (PubChem CID 3244048) has the molecular formula C26H31ClN4O3 and a molecular weight of 483.01 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
PubChem CID3244048
Molecular FormulaC26H31ClN4O3
Molecular Weight483.01 g/mol
Exact Mass482.21
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCn1c(=O)cc(OCC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C26H31ClN4O3/c1-2-31-23-10-4-3-9-22(23)24(18-26(31)33)34-19-25(32)28-11-6-12-29-13-15-30(16-14-29)21-8-5-7-20(27)17-21/h3-5,7-10,17-18H,2,6,11-16,19H2,1H3,(H,28,32)
InChIKeyCCOPWNUUIGRDLJ-UHFFFAOYSA-N
XLogP3.38
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.01
LogP ≤ 53.38
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-(2-chloro-4-fluorobenzyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
CID 16193338
2-(Benzyloxy)-1-(4-(2-chlorophenyl)piperazin-1-yl)ethanone
CID 24762952
2-(Benzyloxy)-1-(4-(4-chlorophenyl)piperazin-1-yl)ethanone
CID 52942601
N-(3-chlorophenyl)-N-ethyl-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 3236055
2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 3237244
N-[3-(2-ethyl-1-piperidinyl)propyl]-2-[(1-methyl-2-oxo-4-quinolinyl)oxy]acetamide
CID 3238420
4-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethoxy]-1-methylquinolin-2(1H)-one
CID 3238431
N-cyclohexyl-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 3238463
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 3239072
1-ethyl-4-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethoxy)quinolin-2(1H)-one
CID 3239129
2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 3240625
N-{3-[ethyl(phenyl)amino]propyl}-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 3240679

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide (CID 3244048) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide is CCn1c(=O)cc(OCC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The InChIKey is CCOPWNUUIGRDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O3/c1-2-31-23-10-4-3-9-22(23)24(18-26(31)33)34-19-25(32)28-11-6-12-29-13-15-30(16-14-29)21-8-5-7-20(27)17-21/h3-5,7-10,17-18H,2,6,11-16,19H2,1H3,(H,28,32).
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide has a molecular weight of 483.01 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 3244048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).