4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol

C16H11FN2O5 — CID 135621708

IUPAC4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol
SMILESCOc1cc2c(Oc3ccc([N+](=O)[O-])c(F)c3)ccnc2cc1O
InChIInChI=1S/C16H11FN2O5/c1-23-16-7-10-12(8-14(16)20)18-5-4-15(10)24-9-2-3-13(19(21)22)11(17)6-9/h2-8,20H,1H3
InChIKeyPBXBVDSVERUOKN-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.79
Rot. Bonds4

About 4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol

4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol (PubChem CID 135621708) has the molecular formula C16H11FN2O5 and a molecular weight of 330.27 g/mol. Its IUPAC name is 4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol.

Molecular Properties

Compound Name4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol
PubChem CID135621708
Molecular FormulaC16H11FN2O5
Molecular Weight330.27 g/mol
Exact Mass330.07
IUPAC Name4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol
SMILESCOc1cc2c(Oc3ccc([N+](=O)[O-])c(F)c3)ccnc2cc1O
InChIInChI=1S/C16H11FN2O5/c1-23-16-7-10-12(8-14(16)20)18-5-4-15(10)24-9-2-3-13(19(21)22)11(17)6-9/h2-8,20H,1H3
InChIKeyPBXBVDSVERUOKN-UHFFFAOYSA-N
XLogP3.79
TPSA94.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
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)-6,7-dimethoxyquinoline;hydrochloride
CID 133054183
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-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol
CID 142235099
4-(4-chloro-3-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 22936444
N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide
CID 134334020
methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate
CID 23153479
4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
CID 67522286
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
ethyl 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxoacetate
CID 155671429
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene
CID 143647690

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol?
The IUPAC name of 4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol (CID 135621708) is 4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol.
What is the SMILES notation for 4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol?
The canonical SMILES for 4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol is COc1cc2c(Oc3ccc([N+](=O)[O-])c(F)c3)ccnc2cc1O.
What is the InChIKey of 4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol?
The InChIKey is PBXBVDSVERUOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O5/c1-23-16-7-10-12(8-14(16)20)18-5-4-15(10)24-9-2-3-13(19(21)22)11(17)6-9/h2-8,20H,1H3.
What are the key properties of 4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol?
4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol has a molecular weight of 330.27 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol is sourced from PubChem (CID 135621708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).