7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one

C22H17N5O4 — CID 72948496

IUPAC7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one
SMILESCc1nc2cc3c(cc2[nH]c1=O)nc(-c1ccc([N+](=O)[O-])o1)n3CCc1ccccc1
InChIInChI=1S/C22H17N5O4/c1-13-22(28)25-15-11-17-18(12-16(15)23-13)26(10-9-14-5-3-2-4-6-14)21(24-17)19-7-8-20(31-19)27(29)30/h2-8,11-12H,9-10H2,1H3,(H,25,28)
InChIKeySZODEMYUEYLHAL-UHFFFAOYSA-N
MW415.41 g/mol
LogP3.99
Rot. Bonds5

About 7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one

7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one (PubChem CID 72948496) has the molecular formula C22H17N5O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is 7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one.

Molecular Properties

Compound Name7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one
PubChem CID72948496
Molecular FormulaC22H17N5O4
Molecular Weight415.41 g/mol
Exact Mass415.13
IUPAC Name7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one
SMILESCc1nc2cc3c(cc2[nH]c1=O)nc(-c1ccc([N+](=O)[O-])o1)n3CCc1ccccc1
InChIInChI=1S/C22H17N5O4/c1-13-22(28)25-15-11-17-18(12-16(15)23-13)26(10-9-14-5-3-2-4-6-14)21(24-17)19-7-8-20(31-19)27(29)30/h2-8,11-12H,9-10H2,1H3,(H,25,28)
InChIKeySZODEMYUEYLHAL-UHFFFAOYSA-N
XLogP3.99
TPSA119.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
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'}

Analyze 7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 2975738
4-methoxy-N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]benzamide
CID 4891629
5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide
CID 24980351
6-(5-Methylfuran-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
CID 2997938
N-(1-(3-amino-3-oxopropyl)-5-(N-methylcyclohexanecarboxamido)-1H-benzo[d]imidazol-2-yl)furan-2-carboxamide
CID 44588739
N-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 665880
N-(1-methyl-2-{2-[4-(4-methylphenyl)piperazin-1-yl]ethyl}-1H-benzimidazol-5-yl)furan-2-carboxamide
CID 667060
2-Amino-1-phenethyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylic acid (furan-2-ylmethyl)-amide
CID 1912988
N-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 2973573
N-[2-(5-{[(4-methoxyphenyl)carbonyl]amino}-1-methyl-1H-benzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 3159386
N-(2-{1-methyl-5-[(phenylcarbonyl)amino]-1H-benzimidazol-2-yl}ethyl)furan-2-carboxamide
CID 4972167
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethyl-2-furyl)methyl]piperidine-4-carboxamide
CID 42096765

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
The IUPAC name of 7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one (CID 72948496) is 7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one.
What is the SMILES notation for 7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
The canonical SMILES for 7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one is Cc1nc2cc3c(cc2[nH]c1=O)nc(-c1ccc([N+](=O)[O-])o1)n3CCc1ccccc1.
What is the InChIKey of 7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
The InChIKey is SZODEMYUEYLHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O4/c1-13-22(28)25-15-11-17-18(12-16(15)23-13)26(10-9-14-5-3-2-4-6-14)21(24-17)19-7-8-20(31-19)27(29)30/h2-8,11-12H,9-10H2,1H3,(H,25,28).
What are the key properties of 7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one has a molecular weight of 415.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(5-nitrofuran-2-yl)-1-(2-phenylethyl)-5H-imidazo[4,5-g]quinoxalin-6-one is sourced from PubChem (CID 72948496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).