4-methyl-3-nitro-N-quinolin-5-ylbenzamide

C17H13N3O3 — CID 952430

IUPAC4-methyl-3-nitro-N-quinolin-5-ylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc3ncccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C17H13N3O3/c1-11-7-8-12(10-16(11)20(22)23)17(21)19-15-6-2-5-14-13(15)4-3-9-18-14/h2-10H,1H3,(H,19,21)
InChIKeyZLISGUNZKGDKST-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.70
Rot. Bonds3

About 4-methyl-3-nitro-N-quinolin-5-ylbenzamide

4-methyl-3-nitro-N-quinolin-5-ylbenzamide (PubChem CID 952430) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name4-methyl-3-nitro-N-quinolin-5-ylbenzamide
PubChem CID952430
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name4-methyl-3-nitro-N-quinolin-5-ylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc3ncccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C17H13N3O3/c1-11-7-8-12(10-16(11)20(22)23)17(21)19-15-6-2-5-14-13(15)4-3-9-18-14/h2-10H,1H3,(H,19,21)
InChIKeyZLISGUNZKGDKST-UHFFFAOYSA-N
XLogP3.70
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.70
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 4-methyl-3-nitro-N-quinolin-5-ylbenzamide?
The IUPAC name of 4-methyl-3-nitro-N-quinolin-5-ylbenzamide (CID 952430) is 4-methyl-3-nitro-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 4-methyl-3-nitro-N-quinolin-5-ylbenzamide?
The canonical SMILES for 4-methyl-3-nitro-N-quinolin-5-ylbenzamide is Cc1ccc(C(=O)Nc2cccc3ncccc23)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-quinolin-5-ylbenzamide?
The InChIKey is ZLISGUNZKGDKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-11-7-8-12(10-16(11)20(22)23)17(21)19-15-6-2-5-14-13(15)4-3-9-18-14/h2-10H,1H3,(H,19,21).
What are the key properties of 4-methyl-3-nitro-N-quinolin-5-ylbenzamide?
4-methyl-3-nitro-N-quinolin-5-ylbenzamide has a molecular weight of 307.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 952430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).