6,7-dimethoxy-4-(3-nitrophenoxy)quinoline

C17H14N2O5 — CID 22132767

IUPAC6,7-dimethoxy-4-(3-nitrophenoxy)quinoline
SMILESCOc1cc2nccc(Oc3cccc([N+](=O)[O-])c3)c2cc1OC
InChIInChI=1S/C17H14N2O5/c1-22-16-9-13-14(10-17(16)23-2)18-7-6-15(13)24-12-5-3-4-11(8-12)19(20)21/h3-10H,1-2H3
InChIKeyOMYGYNKHKZLDSH-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.95
Rot. Bonds5

About 6,7-dimethoxy-4-(3-nitrophenoxy)quinoline

6,7-dimethoxy-4-(3-nitrophenoxy)quinoline (PubChem CID 22132767) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(3-nitrophenoxy)quinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-(3-nitrophenoxy)quinoline
PubChem CID22132767
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name6,7-dimethoxy-4-(3-nitrophenoxy)quinoline
SMILESCOc1cc2nccc(Oc3cccc([N+](=O)[O-])c3)c2cc1OC
InChIInChI=1S/C17H14N2O5/c1-22-16-9-13-14(10-17(16)23-2)18-7-6-15(13)24-12-5-3-4-11(8-12)19(20)21/h3-10H,1-2H3
InChIKeyOMYGYNKHKZLDSH-UHFFFAOYSA-N
XLogP3.95
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6,7-dimethoxy-4-(3-nitrophenoxy)quinoline?
The IUPAC name of 6,7-dimethoxy-4-(3-nitrophenoxy)quinoline (CID 22132767) is 6,7-dimethoxy-4-(3-nitrophenoxy)quinoline.
What is the SMILES notation for 6,7-dimethoxy-4-(3-nitrophenoxy)quinoline?
The canonical SMILES for 6,7-dimethoxy-4-(3-nitrophenoxy)quinoline is COc1cc2nccc(Oc3cccc([N+](=O)[O-])c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-(3-nitrophenoxy)quinoline?
The InChIKey is OMYGYNKHKZLDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-22-16-9-13-14(10-17(16)23-2)18-7-6-15(13)24-12-5-3-4-11(8-12)19(20)21/h3-10H,1-2H3.
What are the key properties of 6,7-dimethoxy-4-(3-nitrophenoxy)quinoline?
6,7-dimethoxy-4-(3-nitrophenoxy)quinoline has a molecular weight of 326.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(3-nitrophenoxy)quinoline is sourced from PubChem (CID 22132767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).