8-(2-chloroethoxy)-5-nitroquinoline

C11H9ClN2O3 — CID 60863321

IUPAC8-(2-chloroethoxy)-5-nitroquinoline
SMILESO=[N+]([O-])c1ccc(OCCCl)c2ncccc12
InChIInChI=1S/C11H9ClN2O3/c12-5-7-17-10-4-3-9(14(15)16)8-2-1-6-13-11(8)10/h1-4,6H,5,7H2
InChIKeyLMVKFQJTQXXHIR-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.76
Rot. Bonds4

About 8-(2-chloroethoxy)-5-nitroquinoline

8-(2-chloroethoxy)-5-nitroquinoline (PubChem CID 60863321) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 8-(2-chloroethoxy)-5-nitroquinoline.

Molecular Properties

Compound Name8-(2-chloroethoxy)-5-nitroquinoline
PubChem CID60863321
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name8-(2-chloroethoxy)-5-nitroquinoline
SMILESO=[N+]([O-])c1ccc(OCCCl)c2ncccc12
InChIInChI=1S/C11H9ClN2O3/c12-5-7-17-10-4-3-9(14(15)16)8-2-1-6-13-11(8)10/h1-4,6H,5,7H2
InChIKeyLMVKFQJTQXXHIR-UHFFFAOYSA-N
XLogP2.76
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine
CID 60863686
tris[(5-nitroquinolin-8-yl)oxymethyl] phosphate
CID 166679929
ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate
CID 60865673
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
N'-hydroxy-2-(5-nitroquinolin-8-yl)oxyethanimidamide
CID 71320044
1-(3-chloropropoxy)-4-nitronaphthalene
CID 63690142
(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol
CID 97243367
8-(4-iodophenoxy)-5-nitroquinoline
CID 60726010
5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
CID 22036476
N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23987661
2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
CID 23935853
1-(5-chloropentoxy)-4-nitronaphthalene
CID 63690144

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloroethoxy)-5-nitroquinoline?
The IUPAC name of 8-(2-chloroethoxy)-5-nitroquinoline (CID 60863321) is 8-(2-chloroethoxy)-5-nitroquinoline.
What is the SMILES notation for 8-(2-chloroethoxy)-5-nitroquinoline?
The canonical SMILES for 8-(2-chloroethoxy)-5-nitroquinoline is O=[N+]([O-])c1ccc(OCCCl)c2ncccc12.
What is the InChIKey of 8-(2-chloroethoxy)-5-nitroquinoline?
The InChIKey is LMVKFQJTQXXHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c12-5-7-17-10-4-3-9(14(15)16)8-2-1-6-13-11(8)10/h1-4,6H,5,7H2.
What are the key properties of 8-(2-chloroethoxy)-5-nitroquinoline?
8-(2-chloroethoxy)-5-nitroquinoline has a molecular weight of 252.66 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloroethoxy)-5-nitroquinoline is sourced from PubChem (CID 60863321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).