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

C25H31N3O3 — CID 35137501

IUPAC2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCCc1ccc(C(=O)N2CCN(CC(=O)N3CCCc4cc(OC)ccc43)CC2)cc1
InChIInChI=1S/C25H31N3O3/c1-3-19-6-8-20(9-7-19)25(30)27-15-13-26(14-16-27)18-24(29)28-12-4-5-21-17-22(31-2)10-11-23(21)28/h6-11,17H,3-5,12-16,18H2,1-2H3
InChIKeyXBCCPNIUMXEWRC-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.99
Rot. Bonds5

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

2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 35137501) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID35137501
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCCc1ccc(C(=O)N2CCN(CC(=O)N3CCCc4cc(OC)ccc43)CC2)cc1
InChIInChI=1S/C25H31N3O3/c1-3-19-6-8-20(9-7-19)25(30)27-15-13-26(14-16-27)18-24(29)28-12-4-5-21-17-22(31-2)10-11-23(21)28/h6-11,17H,3-5,12-16,18H2,1-2H3
InChIKeyXBCCPNIUMXEWRC-UHFFFAOYSA-N
XLogP2.99
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
CID 86913398
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 55468248
N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37473319
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919154
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
CID 56781235
(4-ethylphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571378
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46669822
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958524

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 35137501) is 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is CCc1ccc(C(=O)N2CCN(CC(=O)N3CCCc4cc(OC)ccc43)CC2)cc1.
What is the InChIKey of 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is XBCCPNIUMXEWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-3-19-6-8-20(9-7-19)25(30)27-15-13-26(14-16-27)18-24(29)28-12-4-5-21-17-22(31-2)10-11-23(21)28/h6-11,17H,3-5,12-16,18H2,1-2H3.
What are the key properties of 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 421.54 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 35137501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).