methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate

C18H13FN2O6 — CID 66916355

IUPACmethyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate
SMILESCOC(=O)c1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1OC
InChIInChI=1S/C18H13FN2O6/c1-25-17-9-14-11(8-12(17)18(22)26-2)15(5-6-20-14)27-16-4-3-10(21(23)24)7-13(16)19/h3-9H,1-2H3
InChIKeyPTBFYTYXPOMQTG-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.87
Rot. Bonds5

About methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate

methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate (PubChem CID 66916355) has the molecular formula C18H13FN2O6 and a molecular weight of 372.31 g/mol. Its IUPAC name is methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate
PubChem CID66916355
Molecular FormulaC18H13FN2O6
Molecular Weight372.31 g/mol
Exact Mass372.08
IUPAC Namemethyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate
SMILESCOC(=O)c1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1OC
InChIInChI=1S/C18H13FN2O6/c1-25-17-9-14-11(8-12(17)18(22)26-2)15(5-6-20-14)27-16-4-3-10(21(23)24)7-13(16)19/h3-9H,1-2H3
InChIKeyPTBFYTYXPOMQTG-UHFFFAOYSA-N
XLogP3.87
TPSA100.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 11268045
1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one
CID 167564683
6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine
CID 156871736
4-(4-amino-2-fluorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide
CID 155779628
methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate
CID 22936380
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid
CID 59424536
7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide
CID 169101863
7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylmethoxy)-4-(2-fluoro-4-nitrophenoxy)-6-methoxyquinoline;7-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-ylmethoxy)-4-(2-fluoro-4-nitrophenoxy)-6-methoxyquinoline
CID 91061832
methyl 5-(2-fluoro-4-nitrophenoxy)-2-nitrobenzoate
CID 133302543

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate?
The IUPAC name of methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate (CID 66916355) is methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate.
What is the SMILES notation for methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate?
The canonical SMILES for methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate is COC(=O)c1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1OC.
What is the InChIKey of methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate?
The InChIKey is PTBFYTYXPOMQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O6/c1-25-17-9-14-11(8-12(17)18(22)26-2)15(5-6-20-14)27-16-4-3-10(21(23)24)7-13(16)19/h3-9H,1-2H3.
What are the key properties of methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate?
methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate has a molecular weight of 372.31 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate is sourced from PubChem (CID 66916355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).