1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one

C19H24N2O3 — CID 3242172

IUPAC1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one
SMILESCn1c(=O)cc(OCCCC(=O)N2CCCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-20-16-9-4-3-8-15(16)17(14-19(20)23)24-13-7-10-18(22)21-11-5-2-6-12-21/h3-4,8-9,14H,2,5-7,10-13H2,1H3
InChIKeyYHCOGFCJSHEAQV-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.71
Rot. Bonds5

About 1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one

1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one (PubChem CID 3242172) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one
PubChem CID3242172
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one
SMILESCn1c(=O)cc(OCCCC(=O)N2CCCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-20-16-9-4-3-8-15(16)17(14-19(20)23)24-13-7-10-18(22)21-11-5-2-6-12-21/h3-4,8-9,14H,2,5-7,10-13H2,1H3
InChIKeyYHCOGFCJSHEAQV-UHFFFAOYSA-N
XLogP2.71
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one?
The IUPAC name of 1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one (CID 3242172) is 1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one.
What is the SMILES notation for 1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one?
The canonical SMILES for 1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one is Cn1c(=O)cc(OCCCC(=O)N2CCCCC2)c2ccccc21.
What is the InChIKey of 1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one?
The InChIKey is YHCOGFCJSHEAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20-16-9-4-3-8-15(16)17(14-19(20)23)24-13-7-10-18(22)21-11-5-2-6-12-21/h3-4,8-9,14H,2,5-7,10-13H2,1H3.
What are the key properties of 1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one?
1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one has a molecular weight of 328.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2-one is sourced from PubChem (CID 3242172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).