6-methoxy-8-nitroquinoline

C10H8N2O3 — CID 6822

IUPAC6-methoxy-8-nitroquinoline
SMILESCOc1cc([N+](=O)[O-])c2ncccc2c1
InChIInChI=1S/C10H8N2O3/c1-15-8-5-7-3-2-4-11-10(7)9(6-8)12(13)14/h2-6H,1H3
InChIKeyMIMUSZHMZBJBPO-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.15
Rot. Bonds2

About 6-methoxy-8-nitroquinoline

6-methoxy-8-nitroquinoline (PubChem CID 6822) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 6-methoxy-8-nitroquinoline.

Molecular Properties

Compound Name6-methoxy-8-nitroquinoline
PubChem CID6822
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name6-methoxy-8-nitroquinoline
SMILESCOc1cc([N+](=O)[O-])c2ncccc2c1
InChIInChI=1S/C10H8N2O3/c1-15-8-5-7-3-2-4-11-10(7)9(6-8)12(13)14/h2-6H,1H3
InChIKeyMIMUSZHMZBJBPO-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

Primaquine
CID 4908
Sitamaquine
CID 42548
Primaquine Diphosphate
CID 6135
Quinocide
CID 68928
6-Methoxy-8-quinolinamine
CID 7023
(+)-Primaquine
CID 3044369
6-Methoxyquinoline
CID 14860
N1-(6-Methoxy-8-quinolinyl)-N5-(1-methylethyl)-1,5-pentanediamine
CID 21558
5-Bromo-6-methoxy-8-nitroquinoline
CID 94809
Pamaquine
CID 10290
(-)-Primaquine
CID 3044368
8-Aminoquinolin-6-ol
CID 244284

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-nitroquinoline?
The IUPAC name of 6-methoxy-8-nitroquinoline (CID 6822) is 6-methoxy-8-nitroquinoline.
What is the SMILES notation for 6-methoxy-8-nitroquinoline?
The canonical SMILES for 6-methoxy-8-nitroquinoline is COc1cc([N+](=O)[O-])c2ncccc2c1.
What is the InChIKey of 6-methoxy-8-nitroquinoline?
The InChIKey is MIMUSZHMZBJBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-15-8-5-7-3-2-4-11-10(7)9(6-8)12(13)14/h2-6H,1H3.
What are the key properties of 6-methoxy-8-nitroquinoline?
6-methoxy-8-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 6-methoxy-8-nitroquinoline is sourced from PubChem (CID 6822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).