methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate

C22H21N3O3 — CID 146476157

IUPACmethyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C22H21N3O3/c1-28-22(27)16-7-5-15(6-8-16)20-14-23-18-10-9-17(13-19(18)24-20)21(26)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyLSEULQZYFDHQTC-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.71
Rot. Bonds3

About methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate

methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate (PubChem CID 146476157) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate
PubChem CID146476157
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namemethyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C22H21N3O3/c1-28-22(27)16-7-5-15(6-8-16)20-14-23-18-10-9-17(13-19(18)24-20)21(26)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyLSEULQZYFDHQTC-UHFFFAOYSA-N
XLogP3.71
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate?
The IUPAC name of methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate (CID 146476157) is methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate?
The canonical SMILES for methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate is COC(=O)c1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1.
What is the InChIKey of methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate?
The InChIKey is LSEULQZYFDHQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-22(27)16-7-5-15(6-8-16)20-14-23-18-10-9-17(13-19(18)24-20)21(26)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3.
What are the key properties of methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate?
methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate has a molecular weight of 375.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate is sourced from PubChem (CID 146476157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).