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

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Related Compounds

4-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363310
3-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110362987
methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363188
6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363164
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
6-ethyl-3-[(2-hydroxyethylamino)methyl]-1H-quinolin-2-one
CID 3169171
3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 56719778
4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363142
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
3-[[4-(2-methylpropyl)-5-oxo-1,4-diazepan-1-yl]methyl]-1H-quinolin-2-one
CID 126464222
3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111
N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide
CID 110363088

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).