methyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate

C21H23N5O2 — CID 130366429

IUPACmethyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(C(C)c3ccc4nccnc4c3)CC2)nc1
InChIInChI=1S/C21H23N5O2/c1-15(16-3-5-18-19(13-16)23-8-7-22-18)25-9-11-26(12-10-25)20-6-4-17(14-24-20)21(27)28-2/h3-8,13-15H,9-12H2,1-2H3
InChIKeyDWWCWYRGVAHKIL-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.69
Rot. Bonds4

About methyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate

methyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate (PubChem CID 130366429) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is methyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate
PubChem CID130366429
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Namemethyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(C(C)c3ccc4nccnc4c3)CC2)nc1
InChIInChI=1S/C21H23N5O2/c1-15(16-3-5-18-19(13-16)23-8-7-22-18)25-9-11-26(12-10-25)20-6-4-17(14-24-20)21(27)28-2/h3-8,13-15H,9-12H2,1-2H3
InChIKeyDWWCWYRGVAHKIL-UHFFFAOYSA-N
XLogP2.69
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate (CID 130366429) is methyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate is COC(=O)c1ccc(N2CCN(C(C)c3ccc4nccnc4c3)CC2)nc1.
What is the InChIKey of methyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate?
The InChIKey is DWWCWYRGVAHKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15(16-3-5-18-19(13-16)23-8-7-22-18)25-9-11-26(12-10-25)20-6-4-17(14-24-20)21(27)28-2/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of methyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate?
methyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 377.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 130366429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).