8-(2-chloro-4-nitrophenoxy)quinoline

C15H9ClN2O3 — CID 4044761

IUPAC8-(2-chloro-4-nitrophenoxy)quinoline
SMILESO=[N+]([O-])c1ccc(Oc2cccc3cccnc23)c(Cl)c1
InChIInChI=1S/C15H9ClN2O3/c16-12-9-11(18(19)20)6-7-13(12)21-14-5-1-3-10-4-2-8-17-15(10)14/h1-9H
InChIKeyWGKFOGKAUUGXBS-UHFFFAOYSA-N
MW300.70 g/mol
LogP4.59
Rot. Bonds3

About 8-(2-chloro-4-nitrophenoxy)quinoline

8-(2-chloro-4-nitrophenoxy)quinoline (PubChem CID 4044761) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 8-(2-chloro-4-nitrophenoxy)quinoline.

Molecular Properties

Compound Name8-(2-chloro-4-nitrophenoxy)quinoline
PubChem CID4044761
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name8-(2-chloro-4-nitrophenoxy)quinoline
SMILESO=[N+]([O-])c1ccc(Oc2cccc3cccnc23)c(Cl)c1
InChIInChI=1S/C15H9ClN2O3/c16-12-9-11(18(19)20)6-7-13(12)21-14-5-1-3-10-4-2-8-17-15(10)14/h1-9H
InChIKeyWGKFOGKAUUGXBS-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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Related Compounds

Chloroacetoxyquinoline
CID 2718
7-Chloro-5-nitroquinolin-8-ol
CID 1511784
5-Chloro-8-phenoxyquinoline
CID 2767025
5-Chloro-8-[(3-Chlorobenzyl)oxy]quinoline
CID 56643075
8-[(4-Nitrophenyl)methoxy]quinoline
CID 372051
8-Methoxy-5-nitroquinoline
CID 811350
5-Chloro-8-[(2-nitrophenyl)methoxy]quinoline
CID 752750
8-[3-(2-Chlorophenoxy)propoxy]quinoline
CID 2283001
8-[3-(4-Nitrophenoxy)propoxy]quinoline
CID 2284782
8-[3-(2-Nitrophenoxy)propoxy]quinoline
CID 2288896
3-Nitro-4-(quinolin-8-yloxy)benzonitrile
CID 761846
8-(2,4-Dinitrophenoxy)quinoline
CID 1422298

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-nitrophenoxy)quinoline?
The IUPAC name of 8-(2-chloro-4-nitrophenoxy)quinoline (CID 4044761) is 8-(2-chloro-4-nitrophenoxy)quinoline.
What is the SMILES notation for 8-(2-chloro-4-nitrophenoxy)quinoline?
The canonical SMILES for 8-(2-chloro-4-nitrophenoxy)quinoline is O=[N+]([O-])c1ccc(Oc2cccc3cccnc23)c(Cl)c1.
What is the InChIKey of 8-(2-chloro-4-nitrophenoxy)quinoline?
The InChIKey is WGKFOGKAUUGXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-12-9-11(18(19)20)6-7-13(12)21-14-5-1-3-10-4-2-8-17-15(10)14/h1-9H.
What are the key properties of 8-(2-chloro-4-nitrophenoxy)quinoline?
8-(2-chloro-4-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 8-(2-chloro-4-nitrophenoxy)quinoline is sourced from PubChem (CID 4044761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).