4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride

C17H14ClFN2O5 — CID 133054183

IUPAC4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride
SMILESCOc1cc2nccc(Oc3ccc([N+](=O)[O-])c(F)c3)c2cc1OC.Cl
InChIInChI=1S/C17H13FN2O5.ClH/c1-23-16-8-11-13(9-17(16)24-2)19-6-5-15(11)25-10-3-4-14(20(21)22)12(18)7-10;/h3-9H,1-2H3;1H
InChIKeyYLNKHBBFOFPBEM-UHFFFAOYSA-N
MW380.76 g/mol
LogP4.51
Rot. Bonds5

About 4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride

4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride (PubChem CID 133054183) has the molecular formula C17H14ClFN2O5 and a molecular weight of 380.76 g/mol. Its IUPAC name is 4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride.

Molecular Properties

Compound Name4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride
PubChem CID133054183
Molecular FormulaC17H14ClFN2O5
Molecular Weight380.76 g/mol
Exact Mass380.06
IUPAC Name4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride
SMILESCOc1cc2nccc(Oc3ccc([N+](=O)[O-])c(F)c3)c2cc1OC.Cl
InChIInChI=1S/C17H13FN2O5.ClH/c1-23-16-8-11-13(9-17(16)24-2)19-6-5-15(11)25-10-3-4-14(20(21)22)12(18)7-10;/h3-9H,1-2H3;1H
InChIKeyYLNKHBBFOFPBEM-UHFFFAOYSA-N
XLogP4.51
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.76
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol
CID 135621708
4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane
CID 142137161
4-(3-chloro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 134333908
4-(4-chloro-3-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 22936444
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide
CID 134334020
methane;4,6,7-trimethoxyquinoline
CID 157066291
ethyl 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxoacetate
CID 155671429
methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate
CID 23153479
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride?
The IUPAC name of 4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride (CID 133054183) is 4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride.
What is the SMILES notation for 4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride?
The canonical SMILES for 4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride is COc1cc2nccc(Oc3ccc([N+](=O)[O-])c(F)c3)c2cc1OC.Cl.
What is the InChIKey of 4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride?
The InChIKey is YLNKHBBFOFPBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O5.ClH/c1-23-16-8-11-13(9-17(16)24-2)19-6-5-15(11)25-10-3-4-14(20(21)22)12(18)7-10;/h3-9H,1-2H3;1H.
What are the key properties of 4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride?
4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride has a molecular weight of 380.76 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride is sourced from PubChem (CID 133054183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).