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

C24H31N3O2 — CID 10340555

IUPAC1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C24H31N3O2/c1-29-23-11-5-4-10-22(23)26-18-16-25(17-19-26)14-6-7-15-27-21-9-3-2-8-20(21)12-13-24(27)28/h2-5,8-11H,6-7,12-19H2,1H3
InChIKeyOXMCNMLTXNFBSJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.58
Rot. Bonds7

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

1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one (PubChem CID 10340555) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
PubChem CID10340555
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C24H31N3O2/c1-29-23-11-5-4-10-22(23)26-18-16-25(17-19-26)14-6-7-15-27-21-9-3-2-8-20(21)12-13-24(27)28/h2-5,8-11H,6-7,12-19H2,1H3
InChIKeyOXMCNMLTXNFBSJ-UHFFFAOYSA-N
XLogP3.58
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

AR-C-239
CID 609483
Mazapertine
CID 60820
N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
CID 115111
8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione
CID 2419
Bmy-7378
CID 210172
(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 6604840
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
1-(4-(4-Phenyl-1-piperazinyl)butyl)indolin-2-one
CID 10667433
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11432177
2-Methoxyfentanyl
CID 12741853
3-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-2,4(1H,3H)-quinazolinedione
CID 122065
(2R)-1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 9803032

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one (CID 10340555) is 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one is COc1ccccc1N1CCN(CCCCN2C(=O)CCc3ccccc32)CC1.
What is the InChIKey of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one?
The InChIKey is OXMCNMLTXNFBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-29-23-11-5-4-10-22(23)26-18-16-25(17-19-26)14-6-7-15-27-21-9-3-2-8-20(21)12-13-24(27)28/h2-5,8-11H,6-7,12-19H2,1H3.
What are the key properties of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one?
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one has a molecular weight of 393.53 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10340555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).