2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone

C26H33N3O3 — CID 91670613

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone
SMILESCOc1ccc2c(c1)N(C(=O)CN1CCN(c3ccccc3OC)CC1)C(C)(C)C=C2C
InChIInChI=1S/C26H33N3O3/c1-19-17-26(2,3)29(23-16-20(31-4)10-11-21(19)23)25(30)18-27-12-14-28(15-13-27)22-8-6-7-9-24(22)32-5/h6-11,16-17H,12-15,18H2,1-5H3
InChIKeyCSGDMEKKEVJHHB-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.05
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone

2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone (PubChem CID 91670613) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone
PubChem CID91670613
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone
SMILESCOc1ccc2c(c1)N(C(=O)CN1CCN(c3ccccc3OC)CC1)C(C)(C)C=C2C
InChIInChI=1S/C26H33N3O3/c1-19-17-26(2,3)29(23-16-20(31-4)10-11-21(19)23)25(30)18-27-12-14-28(15-13-27)22-8-6-7-9-24(22)32-5/h6-11,16-17H,12-15,18H2,1-5H3
InChIKeyCSGDMEKKEVJHHB-UHFFFAOYSA-N
XLogP4.05
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone with MolForge

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Related Compounds

1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 132914391
oxalic acid;1-(2,2,4,6,7-pentamethylquinolin-1-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 17254561
2-(4-phenylpiperazin-1-yl)-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone
CID 91670562
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436
N-(3,5-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 6457503
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027
1-[4-[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 118716867
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 55382185
2-[4-(4-bromophenyl)piperazin-1-yl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone
CID 122714307
2-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
CID 143404168
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 2364730
1-[(3S)-3-(2,5-dimethoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 93228945

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone (CID 91670613) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone is COc1ccc2c(c1)N(C(=O)CN1CCN(c3ccccc3OC)CC1)C(C)(C)C=C2C.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone?
The InChIKey is CSGDMEKKEVJHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-19-17-26(2,3)29(23-16-20(31-4)10-11-21(19)23)25(30)18-27-12-14-28(15-13-27)22-8-6-7-9-24(22)32-5/h6-11,16-17H,12-15,18H2,1-5H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone has a molecular weight of 435.57 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(7-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone is sourced from PubChem (CID 91670613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).