ethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate

C21H22N2O4 — CID 3243902

IUPACethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc3c(C)nc4ccccc4c3o2)C1
InChIInChI=1S/C21H22N2O4/c1-3-26-21(25)14-7-6-10-23(12-14)20(24)18-11-16-13(2)22-17-9-5-4-8-15(17)19(16)27-18/h4-5,8-9,11,14H,3,6-7,10,12H2,1-2H3
InChIKeyKXLJFGCARHXIFM-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.70
Rot. Bonds3

About ethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate

ethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate (PubChem CID 3243902) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate
PubChem CID3243902
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nameethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc3c(C)nc4ccccc4c3o2)C1
InChIInChI=1S/C21H22N2O4/c1-3-26-21(25)14-7-6-10-23(12-14)20(24)18-11-16-13(2)22-17-9-5-4-8-15(17)19(16)27-18/h4-5,8-9,11,14H,3,6-7,10,12H2,1-2H3
InChIKeyKXLJFGCARHXIFM-UHFFFAOYSA-N
XLogP3.70
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

SARS-CoV-2 3CLP and CoV inhibitor 15l
CID 156023320
Methyl 1-(2-(furan-2-yl)quinoline-4-carbonyl)piperidine-4-carboxylate
CID 2420130
1-(4-(2-(5-Methylfuran-2-yl)quinoline-4-carbonyl)piperazin-1-yl)ethan-1-one
CID 24980435
6-Methoxy-2-(piperidin-1-ylcarbonyl)furo[2,3-b]quinoline
CID 3237525
(2-Morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2358377
(2-Amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2372589
2-Furyl[4-(2-methylquinolin-4-yl)piperazino]methanone
CID 2728457
N-cyclohexyl-7-methylfuro[2,3-b]quinoline-2-carboxamide
CID 3617885
7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide
CID 4187861
[2-(Furan-2-yl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 4447963
2-(2-Methyl-allyl)-6,7,8,9-tetrahydro-2H-11-oxa-2,4,10-triaza-benzo[b]fluoren-1-one
CID 4859124
2-Butyl-6,7,8,9-tetrahydro-2H-11-oxa-2,4,10-triaza-benzo[b]fluoren-1-one
CID 4885948

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate (CID 3243902) is ethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc3c(C)nc4ccccc4c3o2)C1.
What is the InChIKey of ethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is KXLJFGCARHXIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-26-21(25)14-7-6-10-23(12-14)20(24)18-11-16-13(2)22-17-9-5-4-8-15(17)19(16)27-18/h4-5,8-9,11,14H,3,6-7,10,12H2,1-2H3.
What are the key properties of ethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate?
ethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylfuro[3,2-c]quinoline-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 3243902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).