6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one

C18H25N3O2 — CID 110414460

IUPAC6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCCC(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3C)CC1
InChIInChI=1S/C18H25N3O2/c1-3-4-18(23)21-11-9-20(10-12-21)15-6-7-16-14(13-15)5-8-17(22)19(16)2/h6-7,13H,3-5,8-12H2,1-2H3
InChIKeyNNGSUOBKYDSGRF-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.04
Rot. Bonds3

About 6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one

6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 110414460) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID110414460
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCCC(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3C)CC1
InChIInChI=1S/C18H25N3O2/c1-3-4-18(23)21-11-9-20(10-12-21)15-6-7-16-14(13-15)5-8-17(22)19(16)2/h6-7,13H,3-5,8-12H2,1-2H3
InChIKeyNNGSUOBKYDSGRF-UHFFFAOYSA-N
XLogP2.04
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110640755
N-cyclohexyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
CID 110640760
N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
CID 110414498
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
CID 110781637
5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one
CID 110640960
1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one
CID 28707300
6-[4-(3,3-dimethylbutanoyl)piperazine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110803968
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
6-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110801759
1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one
CID 82479056
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153

Frequently Asked Questions

What is the IUPAC name of 6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one (CID 110414460) is 6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one is CCCC(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3C)CC1.
What is the InChIKey of 6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is NNGSUOBKYDSGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-4-18(23)21-11-9-20(10-12-21)15-6-7-16-14(13-15)5-8-17(22)19(16)2/h6-7,13H,3-5,8-12H2,1-2H3.
What are the key properties of 6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 315.42 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 110414460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).