8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine

C18H12N4O2 — CID 135626378

IUPAC8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine
SMILESO=[N+]([O-])c1ccc2c(c1)C(c1ccccc1)=Nc1cccnc1N2
InChIInChI=1S/C18H12N4O2/c23-22(24)13-8-9-15-14(11-13)17(12-5-2-1-3-6-12)20-16-7-4-10-19-18(16)21-15/h1-11H,(H,19,21)
InChIKeyNNFOWBRLOPTWHQ-UHFFFAOYSA-N
MW316.32 g/mol
LogP4.22
Rot. Bonds2

About 8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine

8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine (PubChem CID 135626378) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine.

Molecular Properties

Compound Name8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine
PubChem CID135626378
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine
SMILESO=[N+]([O-])c1ccc2c(c1)C(c1ccccc1)=Nc1cccnc1N2
InChIInChI=1S/C18H12N4O2/c23-22(24)13-8-9-15-14(11-13)17(12-5-2-1-3-6-12)20-16-7-4-10-19-18(16)21-15/h1-11H,(H,19,21)
InChIKeyNNFOWBRLOPTWHQ-UHFFFAOYSA-N
XLogP4.22
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine?
The IUPAC name of 8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine (CID 135626378) is 8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine.
What is the SMILES notation for 8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine?
The canonical SMILES for 8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine is O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1)=Nc1cccnc1N2.
What is the InChIKey of 8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine?
The InChIKey is NNFOWBRLOPTWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-22(24)13-8-9-15-14(11-13)17(12-5-2-1-3-6-12)20-16-7-4-10-19-18(16)21-15/h1-11H,(H,19,21).
What are the key properties of 8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine?
8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine has a molecular weight of 316.32 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine is sourced from PubChem (CID 135626378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).