5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

C19H19N3O4 — CID 53159210

IUPAC5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESCCN1C(=O)C2CCC(=O)N2c2ccc(C(=O)NCc3ccco3)cc21
InChIInChI=1S/C19H19N3O4/c1-2-21-16-10-12(18(24)20-11-13-4-3-9-26-13)5-6-14(16)22-15(19(21)25)7-8-17(22)23/h3-6,9-10,15H,2,7-8,11H2,1H3,(H,20,24)
InChIKeyBVNLPKNIARUCOW-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.07
Rot. Bonds4

About 5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide (PubChem CID 53159210) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
PubChem CID53159210
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESCCN1C(=O)C2CCC(=O)N2c2ccc(C(=O)NCc3ccco3)cc21
InChIInChI=1S/C19H19N3O4/c1-2-21-16-10-12(18(24)20-11-13-4-3-9-26-13)5-6-14(16)22-15(19(21)25)7-8-17(22)23/h3-6,9-10,15H,2,7-8,11H2,1H3,(H,20,24)
InChIKeyBVNLPKNIARUCOW-UHFFFAOYSA-N
XLogP2.07
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 146579296
N-benzyl-5-ethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46344036
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 53159225
(2S)-N-(furan-2-ylmethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9034464
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347158
4-[(2-chloro-3-ethoxy-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-7-carboxamide
CID 170745349
4-[(2-cyanophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 146579072
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 4596269
N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 4668742
N-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 91247839
N-(furan-2-ylmethyl)-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazine-6-carboxamide
CID 142502310

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The IUPAC name of 5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide (CID 53159210) is 5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The canonical SMILES for 5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide is CCN1C(=O)C2CCC(=O)N2c2ccc(C(=O)NCc3ccco3)cc21.
What is the InChIKey of 5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The InChIKey is BVNLPKNIARUCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-2-21-16-10-12(18(24)20-11-13-4-3-9-26-13)5-6-14(16)22-15(19(21)25)7-8-17(22)23/h3-6,9-10,15H,2,7-8,11H2,1H3,(H,20,24).
What are the key properties of 5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53159210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).