6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one

C20H27N3O2 — CID 110363280

IUPAC6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN3CCN(C(=O)C(C)C)CC3)cc2c1
InChIInChI=1S/C20H27N3O2/c1-4-15-5-6-18-16(11-15)12-17(19(24)21-18)13-22-7-9-23(10-8-22)20(25)14(2)3/h5-6,11-12,14H,4,7-10,13H2,1-3H3,(H,21,24)
InChIKeyQKCWNKNVRBGBFS-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.39
Rot. Bonds4

About 6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one

6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 110363280) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID110363280
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN3CCN(C(=O)C(C)C)CC3)cc2c1
InChIInChI=1S/C20H27N3O2/c1-4-15-5-6-18-16(11-15)12-17(19(24)21-18)13-22-7-9-23(10-8-22)20(25)14(2)3/h5-6,11-12,14H,4,7-10,13H2,1-3H3,(H,21,24)
InChIKeyQKCWNKNVRBGBFS-UHFFFAOYSA-N
XLogP2.39
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-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 6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one (CID 110363280) is 6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(CN3CCN(C(=O)C(C)C)CC3)cc2c1.
What is the InChIKey of 6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is QKCWNKNVRBGBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-15-5-6-18-16(11-15)12-17(19(24)21-18)13-22-7-9-23(10-8-22)20(25)14(2)3/h5-6,11-12,14H,4,7-10,13H2,1-3H3,(H,21,24).
What are the key properties of 6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 341.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 110363280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).