6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one

C22H25N3O2 — CID 15789043

IUPAC6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-2-16-3-5-17(6-4-16)22(27)25-13-11-24(12-14-25)19-8-9-20-18(15-19)7-10-21(26)23-20/h3-6,8-9,15H,2,7,10-14H2,1H3,(H,23,26)
InChIKeyDWMQSQKBAKADTI-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.10
Rot. Bonds3

About 6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one

6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 15789043) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID15789043
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-2-16-3-5-17(6-4-16)22(27)25-13-11-24(12-14-25)19-8-9-20-18(15-19)7-10-21(26)23-20/h3-6,8-9,15H,2,7,10-14H2,1H3,(H,23,26)
InChIKeyDWMQSQKBAKADTI-UHFFFAOYSA-N
XLogP3.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
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-chlorobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236324
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 100934263
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one
CID 110414687
6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13195369
N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
CID 110640813
6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 31281845
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
[4-(4-ethylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113075921
6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110804837
7-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236385
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 37043367

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one (CID 15789043) is 6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one is CCc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1.
What is the InChIKey of 6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DWMQSQKBAKADTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-16-3-5-17(6-4-16)22(27)25-13-11-24(12-14-25)19-8-9-20-18(15-19)7-10-21(26)23-20/h3-6,8-9,15H,2,7,10-14H2,1H3,(H,23,26).
What are the key properties of 6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 15789043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).