2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone

C25H29N3O2 — CID 108741580

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
SMILESCc1ccc(C(C)C)c(OCC(=O)N2CCN(c3ccc4ccccc4n3)CC2)c1
InChIInChI=1S/C25H29N3O2/c1-18(2)21-10-8-19(3)16-23(21)30-17-25(29)28-14-12-27(13-15-28)24-11-9-20-6-4-5-7-22(20)26-24/h4-11,16,18H,12-15,17H2,1-3H3
InChIKeyFHMZWVDFNPSGAX-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.39
Rot. Bonds5

About 2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone

2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone (PubChem CID 108741580) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
PubChem CID108741580
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
SMILESCc1ccc(C(C)C)c(OCC(=O)N2CCN(c3ccc4ccccc4n3)CC2)c1
InChIInChI=1S/C25H29N3O2/c1-18(2)21-10-8-19(3)16-23(21)30-17-25(29)28-14-12-27(13-15-28)24-11-9-20-6-4-5-7-22(20)26-24/h4-11,16,18H,12-15,17H2,1-3H3
InChIKeyFHMZWVDFNPSGAX-UHFFFAOYSA-N
XLogP4.39
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 108731248
2-(5-methyl-2-propan-2-ylphenoxy)-1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]ethanone
CID 17110281
2-(5-methyl-2-propan-2-ylphenoxy)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 108729564
4-methyl-1-[4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]piperazin-1-yl]pentan-1-one
CID 60548006
1-[4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496771
2-(5-methyl-2-propan-2-ylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984767
1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 50896062
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 63650116
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 78947069
2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 63650745
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone (CID 108741580) is 2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone is Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3ccc4ccccc4n3)CC2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is FHMZWVDFNPSGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18(2)21-10-8-19(3)16-23(21)30-17-25(29)28-14-12-27(13-15-28)24-11-9-20-6-4-5-7-22(20)26-24/h4-11,16,18H,12-15,17H2,1-3H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 403.53 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108741580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).