(4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone

C21H22N4O2 — CID 70676968

IUPAC(4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone
SMILESCOc1nc2ccccc2nc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c1-27-20-19(22-17-9-5-6-10-18(17)23-20)21(26)25-13-11-24(12-14-25)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyWVLNBPIOFYUXBP-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.60
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone

(4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone (PubChem CID 70676968) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone
PubChem CID70676968
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone
SMILESCOc1nc2ccccc2nc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c1-27-20-19(22-17-9-5-6-10-18(17)23-20)21(26)25-13-11-24(12-14-25)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyWVLNBPIOFYUXBP-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone (CID 70676968) is (4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone is COc1nc2ccccc2nc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone?
The InChIKey is WVLNBPIOFYUXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-20-19(22-17-9-5-6-10-18(17)23-20)21(26)25-13-11-24(12-14-25)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone?
(4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(3-methoxyquinoxalin-2-yl)methanone is sourced from PubChem (CID 70676968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).