methyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate

C21H20N2O4 — CID 2420130

IUPACmethyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1
InChIInChI=1S/C21H20N2O4/c1-26-21(25)14-8-10-23(11-9-14)20(24)16-13-18(19-7-4-12-27-19)22-17-6-3-2-5-15(16)17/h2-7,12-14H,8-11H2,1H3
InChIKeyQEYIUAMGYYGCQT-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.52
Rot. Bonds3

About methyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate

methyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate (PubChem CID 2420130) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate
PubChem CID2420130
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Namemethyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1
InChIInChI=1S/C21H20N2O4/c1-26-21(25)14-8-10-23(11-9-14)20(24)16-13-18(19-7-4-12-27-19)22-17-6-3-2-5-15(16)17/h2-7,12-14H,8-11H2,1H3
InChIKeyQEYIUAMGYYGCQT-UHFFFAOYSA-N
XLogP3.52
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate (CID 2420130) is methyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1.
What is the InChIKey of methyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is QEYIUAMGYYGCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-26-21(25)14-8-10-23(11-9-14)20(24)16-13-18(19-7-4-12-27-19)22-17-6-3-2-5-15(16)17/h2-7,12-14H,8-11H2,1H3.
What are the key properties of methyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate?
methyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 2420130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).