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

C25H29ClN4O3 — CID 5308824

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCn1c(=O)cc(OCC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C25H29ClN4O3/c1-28-22-9-3-2-8-21(22)23(17-25(28)32)33-18-24(31)27-10-5-11-29-12-14-30(15-13-29)20-7-4-6-19(26)16-20/h2-4,6-9,16-17H,5,10-15,18H2,1H3,(H,27,31)
InChIKeyJRDBJZWWBJBFCB-UHFFFAOYSA-N
MW468.99 g/mol
LogP2.90
Rot. Bonds8

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

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide (PubChem CID 5308824) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
PubChem CID5308824
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCn1c(=O)cc(OCC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C25H29ClN4O3/c1-28-22-9-3-2-8-21(22)23(17-25(28)32)33-18-24(31)27-10-5-11-29-12-14-30(15-13-29)20-7-4-6-19(26)16-20/h2-4,6-9,16-17H,5,10-15,18H2,1H3,(H,27,31)
InChIKeyJRDBJZWWBJBFCB-UHFFFAOYSA-N
XLogP2.90
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide (CID 5308824) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide is Cn1c(=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-methyl-2-oxoquinolin-4-yl)oxyacetamide?
The InChIKey is JRDBJZWWBJBFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-28-22-9-3-2-8-21(22)23(17-25(28)32)33-18-24(31)27-10-5-11-29-12-14-30(15-13-29)20-7-4-6-19(26)16-20/h2-4,6-9,16-17H,5,10-15,18H2,1H3,(H,27,31).
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide has a molecular weight of 468.99 g/mol, XLogP of 2.90, 8 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-methyl-2-oxoquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 5308824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).