[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone

C21H22N4O2 — CID 9415301

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccc3nccnc3c2)CC1
InChIInChI=1S/C21H22N4O2/c1-2-27-20-6-4-3-5-19(20)24-11-13-25(14-12-24)21(26)16-7-8-17-18(15-16)23-10-9-22-17/h3-10,15H,2,11-14H2,1H3
InChIKeyPPDDPZGXSAUGDL-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.99
Rot. Bonds4

About [4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 9415301) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID9415301
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccc3nccnc3c2)CC1
InChIInChI=1S/C21H22N4O2/c1-2-27-20-6-4-3-5-19(20)24-11-13-25(14-12-24)21(26)16-7-8-17-18(15-16)23-10-9-22-17/h3-10,15H,2,11-14H2,1H3
InChIKeyPPDDPZGXSAUGDL-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone with MolForge

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Related Compounds

[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9415328
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]benzonitrile
CID 9415484
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 7922217
(4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 112759903
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9069026
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46671432
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 134062153
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 35514407

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone (CID 9415301) is [4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone is CCOc1ccccc1N1CCN(C(=O)c2ccc3nccnc3c2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is PPDDPZGXSAUGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-27-20-6-4-3-5-19(20)24-11-13-25(14-12-24)21(26)16-7-8-17-18(15-16)23-10-9-22-17/h3-10,15H,2,11-14H2,1H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 362.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 9415301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).