7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline

C22H17N3O2 — CID 53231931

IUPAC7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline
SMILESCc1c2n(c3ccccc13)-c1ccccc1NC2c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H17N3O2/c1-14-17-6-2-4-8-19(17)24-20-9-5-3-7-18(20)23-21(22(14)24)15-10-12-16(13-11-15)25(26)27/h2-13,21,23H,1H3
InChIKeyMNISEXYKDQBEHY-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.36
Rot. Bonds2

About 7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline

7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline (PubChem CID 53231931) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline
PubChem CID53231931
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline
SMILESCc1c2n(c3ccccc13)-c1ccccc1NC2c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H17N3O2/c1-14-17-6-2-4-8-19(17)24-20-9-5-3-7-18(20)23-21(22(14)24)15-10-12-16(13-11-15)25(26)27/h2-13,21,23H,1H3
InChIKeyMNISEXYKDQBEHY-UHFFFAOYSA-N
XLogP5.36
TPSA60.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-nitro-9-(4-nitrophenyl)carbazole
CID 23847398
(6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 752491
(5R)-5-(4-nitrophenyl)-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridine
CID 1103160
dimethyl 3-(4-nitrophenyl)-3,4-dihydrobenzo[f]quinoline-1,2-dicarboxylate
CID 71714269
2,8-dinitro-6,12-diphenyl-5,6,11,12-tetrahydrobenzo[c][1,5]benzodiazocine
CID 102254993
3-(4-nitrophenyl)-1,3-dihydroindol-2-one
CID 112758281
3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942
(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline
CID 129404314
(3aR,4S,9bS)-4-(4-nitrophenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline
CID 127045848
(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012085
3-methyl-4-[(4-nitrophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 115318365
5-(4-nitrophenyl)-5,6-dihydrotetrazolo[1,5-c]quinazoline
CID 4522525

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline?
The IUPAC name of 7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline (CID 53231931) is 7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline?
The canonical SMILES for 7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline is Cc1c2n(c3ccccc13)-c1ccccc1NC2c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline?
The InChIKey is MNISEXYKDQBEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-14-17-6-2-4-8-19(17)24-20-9-5-3-7-18(20)23-21(22(14)24)15-10-12-16(13-11-15)25(26)27/h2-13,21,23H,1H3.
What are the key properties of 7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline?
7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline has a molecular weight of 355.40 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(4-nitrophenyl)-5,6-dihydroindolo[1,2-a]quinoxaline is sourced from PubChem (CID 53231931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).