methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate

C21H20N4O3 — CID 146476164

IUPACmethyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1
InChIInChI=1S/C21H20N4O3/c1-28-21(27)17-8-6-15(12-22-17)19-13-23-16-7-5-14(11-18(16)24-19)20(26)25-9-3-2-4-10-25/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeyQPTCIRZAQUVPQI-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.10
Rot. Bonds3

About methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate

methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate (PubChem CID 146476164) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate
PubChem CID146476164
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Namemethyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1
InChIInChI=1S/C21H20N4O3/c1-28-21(27)17-8-6-15(12-22-17)19-13-23-16-7-5-14(11-18(16)24-19)20(26)25-9-3-2-4-10-25/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeyQPTCIRZAQUVPQI-UHFFFAOYSA-N
XLogP3.10
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate (CID 146476164) is methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate is COC(=O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cn1.
What is the InChIKey of methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate?
The InChIKey is QPTCIRZAQUVPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-28-21(27)17-8-6-15(12-22-17)19-13-23-16-7-5-14(11-18(16)24-19)20(26)25-9-3-2-4-10-25/h5-8,11-13H,2-4,9-10H2,1H3.
What are the key properties of methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate?
methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate has a molecular weight of 376.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate is sourced from PubChem (CID 146476164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).