[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

C22H22N2O4 — CID 2693380

IUPAC[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESC[C@@H]1CCCCN1C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H22N2O4/c1-15-7-4-5-11-24(15)21(25)14-28-22(26)17-13-19(20-10-6-12-27-20)23-18-9-3-2-8-16(17)18/h2-3,6,8-10,12-13,15H,4-5,7,11,14H2,1H3/t15-/m1/s1
InChIKeyUXAVZXXOQUXTNM-OAHLLOKOSA-N
MW378.43 g/mol
LogP4.05
Rot. Bonds4

About [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 2693380) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID2693380
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESC[C@@H]1CCCCN1C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H22N2O4/c1-15-7-4-5-11-24(15)21(25)14-28-22(26)17-13-19(20-10-6-12-27-20)23-18-9-3-2-8-16(17)18/h2-3,6,8-10,12-13,15H,4-5,7,11,14H2,1H3/t15-/m1/s1
InChIKeyUXAVZXXOQUXTNM-OAHLLOKOSA-N
XLogP4.05
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate with MolForge

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Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 7395353
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009468
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395376
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 8651884
[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 119436975
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 2558282
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395388
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825266
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 8849278
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228522

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 2693380) is [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is C[C@@H]1CCCCN1C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is UXAVZXXOQUXTNM-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-7-4-5-11-24(15)21(25)14-28-22(26)17-13-19(20-10-6-12-27-20)23-18-9-3-2-8-16(17)18/h2-3,6,8-10,12-13,15H,4-5,7,11,14H2,1H3/t15-/m1/s1.
What are the key properties of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2693380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).