2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide

C24H28N4O3 — CID 5309200

IUPAC2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCn1c(=O)cc(OCC(=O)Nc2ccccc2N2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C24H28N4O3/c1-3-28-20-10-6-4-8-18(20)22(16-24(28)30)31-17-23(29)25-19-9-5-7-11-21(19)27-14-12-26(2)13-15-27/h4-11,16H,3,12-15,17H2,1-2H3,(H,25,29)
InChIKeyQSIOFFDPTPCNCA-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.79
Rot. Bonds6

About 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 5309200) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID5309200
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCn1c(=O)cc(OCC(=O)Nc2ccccc2N2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C24H28N4O3/c1-3-28-20-10-6-4-8-18(20)22(16-24(28)30)31-17-23(29)25-19-9-5-7-11-21(19)27-14-12-26(2)13-15-27/h4-11,16H,3,12-15,17H2,1-2H3,(H,25,29)
InChIKeyQSIOFFDPTPCNCA-UHFFFAOYSA-N
XLogP2.79
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 5309200) is 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is CCn1c(=O)cc(OCC(=O)Nc2ccccc2N2CCN(C)CC2)c2ccccc21.
What is the InChIKey of 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is QSIOFFDPTPCNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-28-20-10-6-4-8-18(20)22(16-24(28)30)31-17-23(29)25-19-9-5-7-11-21(19)27-14-12-26(2)13-15-27/h4-11,16H,3,12-15,17H2,1-2H3,(H,25,29).
What are the key properties of 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 2.79, 6 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)oxy-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 5309200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).