3-methyl-4-nitro-N-quinolin-8-ylbenzamide

C17H13N3O3 — CID 930537

IUPAC3-methyl-4-nitro-N-quinolin-8-ylbenzamide
SMILESCc1cc(C(=O)Nc2cccc3cccnc23)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H13N3O3/c1-11-10-13(7-8-15(11)20(22)23)17(21)19-14-6-2-4-12-5-3-9-18-16(12)14/h2-10H,1H3,(H,19,21)
InChIKeyDDPQUBIPCFUQMH-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.70
Rot. Bonds3

About 3-methyl-4-nitro-N-quinolin-8-ylbenzamide

3-methyl-4-nitro-N-quinolin-8-ylbenzamide (PubChem CID 930537) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-methyl-4-nitro-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3-methyl-4-nitro-N-quinolin-8-ylbenzamide
PubChem CID930537
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name3-methyl-4-nitro-N-quinolin-8-ylbenzamide
SMILESCc1cc(C(=O)Nc2cccc3cccnc23)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H13N3O3/c1-11-10-13(7-8-15(11)20(22)23)17(21)19-14-6-2-4-12-5-3-9-18-16(12)14/h2-10H,1H3,(H,19,21)
InChIKeyDDPQUBIPCFUQMH-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'}

Analyze 3-methyl-4-nitro-N-quinolin-8-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridine, 3-(p-nitrobenzamido)-
CID 83332
4-[3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide
CID 135567125
4-[3-(8-Methyl-4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide
CID 135567126
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
6-Nitro-2-(pyridin-3-ylmethyl)benzo[de]isoquinoline-1,3-dione
CID 305244
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
3-(4-Aminophenyl)quinoxaline-5-carboxamide
CID 25218519
4-(cyclohexylamino)-N-quinolin-3-ylbenzamide
CID 44450288
4-[methyl(nonyl)amino]-N-quinolin-3-ylbenzamide
CID 44450300
4-[methyl(octyl)amino]-N-quinolin-3-ylbenzamide
CID 44450313

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-N-quinolin-8-ylbenzamide?
The IUPAC name of 3-methyl-4-nitro-N-quinolin-8-ylbenzamide (CID 930537) is 3-methyl-4-nitro-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3-methyl-4-nitro-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3-methyl-4-nitro-N-quinolin-8-ylbenzamide is Cc1cc(C(=O)Nc2cccc3cccnc23)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitro-N-quinolin-8-ylbenzamide?
The InChIKey is DDPQUBIPCFUQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-11-10-13(7-8-15(11)20(22)23)17(21)19-14-6-2-4-12-5-3-9-18-16(12)14/h2-10H,1H3,(H,19,21).
What are the key properties of 3-methyl-4-nitro-N-quinolin-8-ylbenzamide?
3-methyl-4-nitro-N-quinolin-8-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 3-methyl-4-nitro-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 930537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).