5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one

C18H14N4O4 — CID 11221830

IUPAC5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one
SMILESCOc1ccc(Cn2c(=O)c3cncn3c3c([N+](=O)[O-])cccc32)cc1
InChIInChI=1S/C18H14N4O4/c1-26-13-7-5-12(6-8-13)10-20-14-3-2-4-15(22(24)25)17(14)21-11-19-9-16(21)18(20)23/h2-9,11H,10H2,1H3
InChIKeyILKFGRFWHBKJDT-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.61
Rot. Bonds4

About 5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one

5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one (PubChem CID 11221830) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one
PubChem CID11221830
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one
SMILESCOc1ccc(Cn2c(=O)c3cncn3c3c([N+](=O)[O-])cccc32)cc1
InChIInChI=1S/C18H14N4O4/c1-26-13-7-5-12(6-8-13)10-20-14-3-2-4-15(22(24)25)17(14)21-11-19-9-16(21)18(20)23/h2-9,11H,10H2,1H3
InChIKeyILKFGRFWHBKJDT-UHFFFAOYSA-N
XLogP2.61
TPSA91.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Related Compounds

1,3-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 143044407
methyl 1-[2-(4-methoxyphenyl)ethyl]-5-nitro-2-oxoquinoline-3-carboxylate
CID 142731603
1,3-bis[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyrimidine-2,4-dione
CID 87725856
1-[(4-methoxyphenyl)methyl]-4-nitro-3-(trifluoromethyl)pyrazole
CID 118678592
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine
CID 9130212
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
methyl 5-nitro-2-oxo-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxylate
CID 134144805
1,4-dimethyl-5-nitroquinoxaline-2,3-dione
CID 177185302
3-(4-methoxyphenyl)-1-[(3-nitrophenyl)methyl]quinazoline-2,4-dione
CID 46247353
1-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 63810817
6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 2765304

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one (CID 11221830) is 5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one is COc1ccc(Cn2c(=O)c3cncn3c3c([N+](=O)[O-])cccc32)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is ILKFGRFWHBKJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c1-26-13-7-5-12(6-8-13)10-20-14-3-2-4-15(22(24)25)17(14)21-11-19-9-16(21)18(20)23/h2-9,11H,10H2,1H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one?
5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 350.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-9-nitroimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 11221830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).