2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one

C21H13N3O3 — CID 155699291

IUPAC2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one
SMILESO=c1[nH]c2ccc(-c3ccccc3[N+](=O)[O-])cc2c2[nH]c3ccccc3c12
InChIInChI=1S/C21H13N3O3/c25-21-19-14-6-1-3-7-16(14)22-20(19)15-11-12(9-10-17(15)23-21)13-5-2-4-8-18(13)24(26)27/h1-11,22H,(H,23,25)
InChIKeyDXTDUPZPCPAFRS-UHFFFAOYSA-N
MW355.35 g/mol
LogP4.74
Rot. Bonds2

About 2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one

2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one (PubChem CID 155699291) has the molecular formula C21H13N3O3 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one.

Molecular Properties

Compound Name2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one
PubChem CID155699291
Molecular FormulaC21H13N3O3
Molecular Weight355.35 g/mol
Exact Mass355.10
IUPAC Name2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one
SMILESO=c1[nH]c2ccc(-c3ccccc3[N+](=O)[O-])cc2c2[nH]c3ccccc3c12
InChIInChI=1S/C21H13N3O3/c25-21-19-14-6-1-3-7-16(14)22-20(19)15-11-12(9-10-17(15)23-21)13-5-2-4-8-18(13)24(26)27/h1-11,22H,(H,23,25)
InChIKeyDXTDUPZPCPAFRS-UHFFFAOYSA-N
XLogP4.74
TPSA91.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one?
The IUPAC name of 2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one (CID 155699291) is 2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one.
What is the SMILES notation for 2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one?
The canonical SMILES for 2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one is O=c1[nH]c2ccc(-c3ccccc3[N+](=O)[O-])cc2c2[nH]c3ccccc3c12.
What is the InChIKey of 2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one?
The InChIKey is DXTDUPZPCPAFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O3/c25-21-19-14-6-1-3-7-16(14)22-20(19)15-11-12(9-10-17(15)23-21)13-5-2-4-8-18(13)24(26)27/h1-11,22H,(H,23,25).
What are the key properties of 2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one?
2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one has a molecular weight of 355.35 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one is sourced from PubChem (CID 155699291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).