2-methyl-8-nitroquinoline

C10H8N2O2 — CID 13433

IUPAC2-methyl-8-nitroquinoline
SMILESCc1ccc2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C10H8N2O2/c1-7-5-6-8-3-2-4-9(12(13)14)10(8)11-7/h2-6H,1H3
InChIKeyUHPGVDHXHDPYQP-UHFFFAOYSA-N
MW188.19 g/mol
LogP2.45
Rot. Bonds1

About 2-methyl-8-nitroquinoline

2-methyl-8-nitroquinoline (PubChem CID 13433) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-methyl-8-nitroquinoline.

Molecular Properties

Compound Name2-methyl-8-nitroquinoline
PubChem CID13433
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-methyl-8-nitroquinoline
SMILESCc1ccc2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C10H8N2O2/c1-7-5-6-8-3-2-4-9(12(13)14)10(8)11-7/h2-6H,1H3
InChIKeyUHPGVDHXHDPYQP-UHFFFAOYSA-N
XLogP2.45
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
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'}

Analyze 2-methyl-8-nitroquinoline 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

2,9-Dimethyl-1,10-phenanthroline
CID 65237
8-Nitroquinoline
CID 11830
2-Methyl-6-nitroquinoline
CID 69172
2-[(E)-2-(3-nitrophenyl)vinyl]quinoline
CID 5376617
2,3-Dimethyl-7-nitro-1H-indole
CID 38742
2-Methyl-8-aminoquinoline
CID 140457
N-(2-nitrophenyl)acridin-9-amine
CID 53323
6-Nitroquinoline
CID 11945
7-Methyl-8-nitroquinoline
CID 81981
3-Nitroquinoline
CID 25551
2-Methyl-4-nitroquinoline 1-oxide
CID 78545
1-Methylphenazine
CID 606676

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-nitroquinoline?
The IUPAC name of 2-methyl-8-nitroquinoline (CID 13433) is 2-methyl-8-nitroquinoline.
What is the SMILES notation for 2-methyl-8-nitroquinoline?
The canonical SMILES for 2-methyl-8-nitroquinoline is Cc1ccc2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2-methyl-8-nitroquinoline?
The InChIKey is UHPGVDHXHDPYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-7-5-6-8-3-2-4-9(12(13)14)10(8)11-7/h2-6H,1H3.
What are the key properties of 2-methyl-8-nitroquinoline?
2-methyl-8-nitroquinoline has a molecular weight of 188.19 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-nitroquinoline is sourced from PubChem (CID 13433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).