2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline

C23H27ClN4O — CID 139623945

IUPAC2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1OCCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C23H27ClN4O/c1-18-23(26-21-10-4-3-9-20(21)25-18)29-17-7-6-12-27-13-15-28(16-14-27)22-11-5-2-8-19(22)24/h2-5,8-11H,6-7,12-17H2,1H3
InChIKeyLHBJSIWIFUMHKD-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.57
Rot. Bonds7

About 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline

2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline (PubChem CID 139623945) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline
PubChem CID139623945
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC Name2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1OCCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C23H27ClN4O/c1-18-23(26-21-10-4-3-9-20(21)25-18)29-17-7-6-12-27-13-15-28(16-14-27)22-11-5-2-8-19(22)24/h2-5,8-11H,6-7,12-17H2,1H3
InChIKeyLHBJSIWIFUMHKD-UHFFFAOYSA-N
XLogP4.57
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3-methylquinoxalin-2-one
CID 139617049
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole
CID 10044763
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335
3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072327
5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine
CID 139654537
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 10812321
1-(3-chloro-2-methylphenyl)-4-(5,5-dimethylhexyl)piperazine
CID 22957128
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
CID 67375779
4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline
CID 67885692
1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine
CID 61396678

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline?
The IUPAC name of 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline (CID 139623945) is 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline.
What is the SMILES notation for 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline?
The canonical SMILES for 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline is Cc1nc2ccccc2nc1OCCCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline?
The InChIKey is LHBJSIWIFUMHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O/c1-18-23(26-21-10-4-3-9-20(21)25-18)29-17-7-6-12-27-13-15-28(16-14-27)22-11-5-2-8-19(22)24/h2-5,8-11H,6-7,12-17H2,1H3.
What are the key properties of 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline?
2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline has a molecular weight of 410.95 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline is sourced from PubChem (CID 139623945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).