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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Related Compounds

2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide
CID 868700
2-(Furan-2-yl)quinoline-4-carboxylic acid
CID 697640
2-[7-(Furan-2-yl)-12-(morpholine-4-sulfonyl)-3,5-dioxo-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaen-4-yl]ethyl acetate
CID 11397895
(3R,4S)-1-(furan-2-carbonyl)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-3,4-dicarboxamide
CID 44356953
2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 903397
1-(4-(2-(5-Methylfuran-2-yl)quinoline-4-carbonyl)piperazin-1-yl)ethan-1-one
CID 24980435
2-(5-Methylfuran-2-yl)quinoline-4-carboxylic acid
CID 693021
Ethyl 4-{[2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3237815
2-[(E)-[[2-(2-furyl)quinoline-4-carbonyl]hydrazono]methyl]benzoic acid
CID 6906548
6-Methoxy-2-(piperidin-1-ylcarbonyl)furo[2,3-b]quinoline
CID 3237525
N,N-dimethylformamide; 2-(2-furyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 16241726
(3R,4S)-1-(furan-2-carbonyl)-4-N-hydroxy-3-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-3,4-dicarboxamide
CID 44357209

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).