1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one

C22H25N3O2 — CID 22072557

IUPAC1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one
SMILESCCc1ccc(C(=O)N2CCN(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-2-17-7-9-19(10-8-17)22(27)23-13-15-24(16-14-23)25-20-6-4-3-5-18(20)11-12-21(25)26/h3-10H,2,11-16H2,1H3
InChIKeyWFEGZQFZONBIAN-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.90
Rot. Bonds3

About 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one

1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one (PubChem CID 22072557) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one
PubChem CID22072557
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one
SMILESCCc1ccc(C(=O)N2CCN(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-2-17-7-9-19(10-8-17)22(27)23-13-15-24(16-14-23)25-20-6-4-3-5-18(20)11-12-21(25)26/h3-10H,2,11-16H2,1H3
InChIKeyWFEGZQFZONBIAN-UHFFFAOYSA-N
XLogP2.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methylbenzenecarbothioyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one
CID 22072548
1-piperidin-1-yl-3,4-dihydroquinolin-2-one
CID 19094699
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46762925
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765959
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51297445
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 2199021
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one
CID 19030874
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 38000598

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one (CID 22072557) is 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one is CCc1ccc(C(=O)N2CCN(N3C(=O)CCc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is WFEGZQFZONBIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-17-7-9-19(10-8-17)22(27)23-13-15-24(16-14-23)25-20-6-4-3-5-18(20)11-12-21(25)26/h3-10H,2,11-16H2,1H3.
What are the key properties of 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one?
1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 363.46 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 22072557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).