5-chloro-8-(2-nitrophenoxy)quinoline

C15H9ClN2O3 — CID 1487022

IUPAC5-chloro-8-(2-nitrophenoxy)quinoline
SMILESO=[N+]([O-])c1ccccc1Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H9ClN2O3/c16-11-7-8-14(15-10(11)4-3-9-17-15)21-13-6-2-1-5-12(13)18(19)20/h1-9H
InChIKeyNSBODPGTENPZQR-UHFFFAOYSA-N
MW300.70 g/mol
LogP4.59
Rot. Bonds3

About 5-chloro-8-(2-nitrophenoxy)quinoline

5-chloro-8-(2-nitrophenoxy)quinoline (PubChem CID 1487022) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 5-chloro-8-(2-nitrophenoxy)quinoline.

Molecular Properties

Compound Name5-chloro-8-(2-nitrophenoxy)quinoline
PubChem CID1487022
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name5-chloro-8-(2-nitrophenoxy)quinoline
SMILESO=[N+]([O-])c1ccccc1Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H9ClN2O3/c16-11-7-8-14(15-10(11)4-3-9-17-15)21-13-6-2-1-5-12(13)18(19)20/h1-9H
InChIKeyNSBODPGTENPZQR-UHFFFAOYSA-N
XLogP4.59
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 54.59
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(2-nitrophenoxy)quinoline?
The IUPAC name of 5-chloro-8-(2-nitrophenoxy)quinoline (CID 1487022) is 5-chloro-8-(2-nitrophenoxy)quinoline.
What is the SMILES notation for 5-chloro-8-(2-nitrophenoxy)quinoline?
The canonical SMILES for 5-chloro-8-(2-nitrophenoxy)quinoline is O=[N+]([O-])c1ccccc1Oc1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-8-(2-nitrophenoxy)quinoline?
The InChIKey is NSBODPGTENPZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-11-7-8-14(15-10(11)4-3-9-17-15)21-13-6-2-1-5-12(13)18(19)20/h1-9H.
What are the key properties of 5-chloro-8-(2-nitrophenoxy)quinoline?
5-chloro-8-(2-nitrophenoxy)quinoline has a molecular weight of 300.70 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-(2-nitrophenoxy)quinoline is sourced from PubChem (CID 1487022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).