3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone

C20H24N4O — CID 162661801

IUPAC3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)N2CCNc3ccccc32)CC1
InChIInChI=1S/C20H24N4O/c1-16-6-2-4-8-18(16)22-12-14-23(15-13-22)20(25)24-11-10-21-17-7-3-5-9-19(17)24/h2-9,21H,10-15H2,1H3
InChIKeyGFYVINZIBYQNJQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.17
Rot. Bonds1

About 3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone

3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 162661801) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID162661801
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)N2CCNc3ccccc32)CC1
InChIInChI=1S/C20H24N4O/c1-16-6-2-4-8-18(16)22-12-14-23(15-13-22)20(25)24-11-10-21-17-7-3-5-9-19(17)24/h2-9,21H,10-15H2,1H3
InChIKeyGFYVINZIBYQNJQ-UHFFFAOYSA-N
XLogP3.17
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 162661801) is 3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)N2CCNc3ccccc32)CC1.
What is the InChIKey of 3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is GFYVINZIBYQNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-16-6-2-4-8-18(16)22-12-14-23(15-13-22)20(25)24-11-10-21-17-7-3-5-9-19(17)24/h2-9,21H,10-15H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone?
3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinoxalin-1-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 162661801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).