6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione

C15H15N3O3 — CID 43490490

IUPAC6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCNC(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccco1
InChIInChI=1S/C15H15N3O3/c1-2-16-13(12-4-3-7-21-12)9-5-6-10-11(8-9)18-15(20)14(19)17-10/h3-8,13,16H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyOWMBFALANKSXIZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.51
Rot. Bonds4

About 6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione

6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43490490) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43490490
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCNC(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccco1
InChIInChI=1S/C15H15N3O3/c1-2-16-13(12-4-3-7-21-12)9-5-6-10-11(8-9)18-15(20)14(19)17-10/h3-8,13,16H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyOWMBFALANKSXIZ-UHFFFAOYSA-N
XLogP1.51
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2,3-dihydro-1H-inden-5-yl(furan-2-yl)methyl]ethanamine
CID 43491712
5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62373407
N-[(2,6-dimethyl-4-pyridinyl)-(furan-2-yl)methyl]ethanamine
CID 107503948
N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine
CID 103215267
6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 83149783
N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63185696
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine
CID 107288862
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388
N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544236
6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43490510
N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine
CID 62715603
6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495873

Frequently Asked Questions

What is the IUPAC name of 6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione (CID 43490490) is 6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione is CCNC(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccco1.
What is the InChIKey of 6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is OWMBFALANKSXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-16-13(12-4-3-7-21-12)9-5-6-10-11(8-9)18-15(20)14(19)17-10/h3-8,13,16H,2H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 285.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43490490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).