methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate

C21H19N3O5 — CID 4878165

IUPACmethyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H19N3O5/c1-28-19(25)12-17-20(26)22-8-9-24(17)21(27)14-11-16(18-7-4-10-29-18)23-15-6-3-2-5-13(14)15/h2-7,10-11,17H,8-9,12H2,1H3,(H,22,26)
InChIKeyQQJQIQXGTDKKHR-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.00
Rot. Bonds4

About methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 4878165) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate
PubChem CID4878165
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Namemethyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H19N3O5/c1-28-19(25)12-17-20(26)22-8-9-24(17)21(27)14-11-16(18-7-4-10-29-18)23-15-6-3-2-5-13(14)15/h2-7,10-11,17H,8-9,12H2,1H3,(H,22,26)
InChIKeyQQJQIQXGTDKKHR-UHFFFAOYSA-N
XLogP2.00
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate with MolForge

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Related Compounds

3-ethyl-4-[2-(1-methylpyrazol-3-yl)quinoline-4-carbonyl]piperazin-2-one
CID 46977240
4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one
CID 46977179
methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate
CID 43074086
1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55969264
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
CID 119375996
(3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one
CID 96521461
1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117964
[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 119436975
[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 41308568
1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55596344
methyl 2-[(2R)-1-[2-(1H-imidazol-2-yl)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 95192507

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate (CID 4878165) is methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1C(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is QQJQIQXGTDKKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-28-19(25)12-17-20(26)22-8-9-24(17)21(27)14-11-16(18-7-4-10-29-18)23-15-6-3-2-5-13(14)15/h2-7,10-11,17H,8-9,12H2,1H3,(H,22,26).
What are the key properties of methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 393.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 4878165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).