8-methoxy-5-nitroquinoline

C10H8N2O3 — CID 811350

IUPAC8-methoxy-5-nitroquinoline
SMILESCOc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C10H8N2O3/c1-15-9-5-4-8(12(13)14)7-3-2-6-11-10(7)9/h2-6H,1H3
InChIKeyTUICZSFZAWPHQN-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.15
Rot. Bonds2

About 8-methoxy-5-nitroquinoline

8-methoxy-5-nitroquinoline (PubChem CID 811350) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 8-methoxy-5-nitroquinoline.

Molecular Properties

Compound Name8-methoxy-5-nitroquinoline
PubChem CID811350
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name8-methoxy-5-nitroquinoline
SMILESCOc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C10H8N2O3/c1-15-9-5-4-8(12(13)14)7-3-2-6-11-10(7)9/h2-6H,1H3
InChIKeyTUICZSFZAWPHQN-UHFFFAOYSA-N
XLogP2.15
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
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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Related Compounds

Nitroxoline
CID 19910
5-Nitroso-8-quinolinol
CID 19103
6-Methoxyquinoline
CID 14860
8-Acetoxyquinoline
CID 75777
6-Methoxy-8-nitroquinoline
CID 6822
5,7-Dinitro-8-quinolinol
CID 245295
8-Methoxyquinoline
CID 70310
8-Ethoxyquinoline
CID 73781
6-Methoxy-4-methylquinoline
CID 258761
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
5-Fluoro-7-nitroquinolin-8-ol
CID 260644
N-(2-methoxy-5-nitrophenyl)-9-acridinamine
CID 432004

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-nitroquinoline?
The IUPAC name of 8-methoxy-5-nitroquinoline (CID 811350) is 8-methoxy-5-nitroquinoline.
What is the SMILES notation for 8-methoxy-5-nitroquinoline?
The canonical SMILES for 8-methoxy-5-nitroquinoline is COc1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of 8-methoxy-5-nitroquinoline?
The InChIKey is TUICZSFZAWPHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-15-9-5-4-8(12(13)14)7-3-2-6-11-10(7)9/h2-6H,1H3.
What are the key properties of 8-methoxy-5-nitroquinoline?
8-methoxy-5-nitroquinoline has a molecular weight of 204.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-nitroquinoline is sourced from PubChem (CID 811350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).