1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one

C19H13N3O4 — CID 129286601

IUPAC1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one
SMILESO=c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc2n1Cc1ccco1
InChIInChI=1S/C19H13N3O4/c23-19-18(13-5-3-6-14(11-13)22(24)25)20-16-8-1-2-9-17(16)21(19)12-15-7-4-10-26-15/h1-11H,12H2
InChIKeyUMGZDFUNVVRTSB-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.61
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one

1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one (PubChem CID 129286601) has the molecular formula C19H13N3O4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one
PubChem CID129286601
Molecular FormulaC19H13N3O4
Molecular Weight347.33 g/mol
Exact Mass347.09
IUPAC Name1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one
SMILESO=c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc2n1Cc1ccco1
InChIInChI=1S/C19H13N3O4/c23-19-18(13-5-3-6-14(11-13)22(24)25)20-16-8-1-2-9-17(16)21(19)12-15-7-4-10-26-15/h1-11H,12H2
InChIKeyUMGZDFUNVVRTSB-UHFFFAOYSA-N
XLogP3.61
TPSA91.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one (CID 129286601) is 1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one is O=c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc2n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one?
The InChIKey is UMGZDFUNVVRTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4/c23-19-18(13-5-3-6-14(11-13)22(24)25)20-16-8-1-2-9-17(16)21(19)12-15-7-4-10-26-15/h1-11H,12H2.
What are the key properties of 1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one?
1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one has a molecular weight of 347.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one is sourced from PubChem (CID 129286601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).