1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one

C23H26N4O3 — CID 3238264

IUPAC1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one
SMILESCn1c(=O)cc(OCCCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21
InChIInChI=1S/C23H26N4O3/c1-25-19-8-3-2-7-18(19)20(17-23(25)29)30-16-6-10-22(28)27-14-12-26(13-15-27)21-9-4-5-11-24-21/h2-5,7-9,11,17H,6,10,12-16H2,1H3
InChIKeyGIZQDKBOKATGKT-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.44
Rot. Bonds6

About 1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one

1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one (PubChem CID 3238264) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one
PubChem CID3238264
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one
SMILESCn1c(=O)cc(OCCCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21
InChIInChI=1S/C23H26N4O3/c1-25-19-8-3-2-7-18(19)20(17-23(25)29)30-16-6-10-22(28)27-14-12-26(13-15-27)21-9-4-5-11-24-21/h2-5,7-9,11,17H,6,10,12-16H2,1H3
InChIKeyGIZQDKBOKATGKT-UHFFFAOYSA-N
XLogP2.44
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.44
H-Bond Donors ≤ 50
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 1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one?
The IUPAC name of 1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one (CID 3238264) is 1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one is Cn1c(=O)cc(OCCCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one?
The InChIKey is GIZQDKBOKATGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-25-19-8-3-2-7-18(19)20(17-23(25)29)30-16-6-10-22(28)27-14-12-26(13-15-27)21-9-4-5-11-24-21/h2-5,7-9,11,17H,6,10,12-16H2,1H3.
What are the key properties of 1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one?
1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one has a molecular weight of 406.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2-one is sourced from PubChem (CID 3238264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).