8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline

C19H18N2O5 — CID 2288863

IUPAC8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline
SMILESO=[N+]([O-])c1ccccc1OCCOCCOc1cccc2cccnc12
InChIInChI=1S/C19H18N2O5/c22-21(23)16-7-1-2-8-17(16)25-13-11-24-12-14-26-18-9-3-5-15-6-4-10-20-19(15)18/h1-10H,11-14H2
InChIKeySYHYQSOWKXACTH-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.62
Rot. Bonds9

About 8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline

8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline (PubChem CID 2288863) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline.

Molecular Properties

Compound Name8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline
PubChem CID2288863
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline
SMILESO=[N+]([O-])c1ccccc1OCCOCCOc1cccc2cccnc12
InChIInChI=1S/C19H18N2O5/c22-21(23)16-7-1-2-8-17(16)25-13-11-24-12-14-26-18-9-3-5-15-6-4-10-20-19(15)18/h1-10H,11-14H2
InChIKeySYHYQSOWKXACTH-UHFFFAOYSA-N
XLogP3.62
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline?
The IUPAC name of 8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline (CID 2288863) is 8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline.
What is the SMILES notation for 8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline?
The canonical SMILES for 8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline is O=[N+]([O-])c1ccccc1OCCOCCOc1cccc2cccnc12.
What is the InChIKey of 8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline?
The InChIKey is SYHYQSOWKXACTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-21(23)16-7-1-2-8-17(16)25-13-11-24-12-14-26-18-9-3-5-15-6-4-10-20-19(15)18/h1-10H,11-14H2.
What are the key properties of 8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline?
8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline has a molecular weight of 354.36 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]quinoline is sourced from PubChem (CID 2288863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).