propan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate

C22H24N4O2 — CID 50765135

IUPACpropan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate
SMILESCC(C)OC(=O)c1nc2ccccc2nc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c1-16(2)28-22(27)20-21(24-19-11-7-6-10-18(19)23-20)26-14-12-25(13-15-26)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3
InChIKeyDTNXKMKQOSSWLD-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.52
Rot. Bonds4

About propan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate

propan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate (PubChem CID 50765135) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is propan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate
PubChem CID50765135
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Namepropan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate
SMILESCC(C)OC(=O)c1nc2ccccc2nc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c1-16(2)28-22(27)20-21(24-19-11-7-6-10-18(19)23-20)26-14-12-25(13-15-26)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3
InChIKeyDTNXKMKQOSSWLD-UHFFFAOYSA-N
XLogP3.52
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate?
The IUPAC name of propan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate (CID 50765135) is propan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate.
What is the SMILES notation for propan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate?
The canonical SMILES for propan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate is CC(C)OC(=O)c1nc2ccccc2nc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of propan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate?
The InChIKey is DTNXKMKQOSSWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(2)28-22(27)20-21(24-19-11-7-6-10-18(19)23-20)26-14-12-25(13-15-26)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3.
What are the key properties of propan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate?
propan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-phenylpiperazin-1-yl)quinoxaline-2-carboxylate is sourced from PubChem (CID 50765135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).