3-nitro-N-quinolin-8-ylbenzamide

C16H11N3O3 — CID 657169

IUPAC3-nitro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H11N3O3/c20-16(12-5-1-7-13(10-12)19(21)22)18-14-8-2-4-11-6-3-9-17-15(11)14/h1-10H,(H,18,20)
InChIKeyIGPIXGIGDVQTEE-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.40
Rot. Bonds3

About 3-nitro-N-quinolin-8-ylbenzamide

3-nitro-N-quinolin-8-ylbenzamide (PubChem CID 657169) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 3-nitro-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3-nitro-N-quinolin-8-ylbenzamide
PubChem CID657169
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name3-nitro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H11N3O3/c20-16(12-5-1-7-13(10-12)19(21)22)18-14-8-2-4-11-6-3-9-17-15(11)14/h1-10H,(H,18,20)
InChIKeyIGPIXGIGDVQTEE-UHFFFAOYSA-N
XLogP3.40
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-quinolin-8-ylbenzamide?
The IUPAC name of 3-nitro-N-quinolin-8-ylbenzamide (CID 657169) is 3-nitro-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3-nitro-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3-nitro-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-quinolin-8-ylbenzamide?
The InChIKey is IGPIXGIGDVQTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-16(12-5-1-7-13(10-12)19(21)22)18-14-8-2-4-11-6-3-9-17-15(11)14/h1-10H,(H,18,20).
What are the key properties of 3-nitro-N-quinolin-8-ylbenzamide?
3-nitro-N-quinolin-8-ylbenzamide has a molecular weight of 293.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 657169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).