8-[3-(4-nitrophenoxy)propoxy]quinoline

C18H16N2O4 — CID 2284782

IUPAC8-[3-(4-nitrophenoxy)propoxy]quinoline
SMILESO=[N+]([O-])c1ccc(OCCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C18H16N2O4/c21-20(22)15-7-9-16(10-8-15)23-12-3-13-24-17-6-1-4-14-5-2-11-19-18(14)17/h1-2,4-11H,3,12-13H2
InChIKeyMVOODWZBZSCQRQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.99
Rot. Bonds7

About 8-[3-(4-nitrophenoxy)propoxy]quinoline

8-[3-(4-nitrophenoxy)propoxy]quinoline (PubChem CID 2284782) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 8-[3-(4-nitrophenoxy)propoxy]quinoline.

Molecular Properties

Compound Name8-[3-(4-nitrophenoxy)propoxy]quinoline
PubChem CID2284782
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name8-[3-(4-nitrophenoxy)propoxy]quinoline
SMILESO=[N+]([O-])c1ccc(OCCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C18H16N2O4/c21-20(22)15-7-9-16(10-8-15)23-12-3-13-24-17-6-1-4-14-5-2-11-19-18(14)17/h1-2,4-11H,3,12-13H2
InChIKeyMVOODWZBZSCQRQ-UHFFFAOYSA-N
XLogP3.99
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 8-[3-(4-nitrophenoxy)propoxy]quinoline?
The IUPAC name of 8-[3-(4-nitrophenoxy)propoxy]quinoline (CID 2284782) is 8-[3-(4-nitrophenoxy)propoxy]quinoline.
What is the SMILES notation for 8-[3-(4-nitrophenoxy)propoxy]quinoline?
The canonical SMILES for 8-[3-(4-nitrophenoxy)propoxy]quinoline is O=[N+]([O-])c1ccc(OCCCOc2cccc3cccnc23)cc1.
What is the InChIKey of 8-[3-(4-nitrophenoxy)propoxy]quinoline?
The InChIKey is MVOODWZBZSCQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-20(22)15-7-9-16(10-8-15)23-12-3-13-24-17-6-1-4-14-5-2-11-19-18(14)17/h1-2,4-11H,3,12-13H2.
What are the key properties of 8-[3-(4-nitrophenoxy)propoxy]quinoline?
8-[3-(4-nitrophenoxy)propoxy]quinoline has a molecular weight of 324.34 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-nitrophenoxy)propoxy]quinoline is sourced from PubChem (CID 2284782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).