ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline

C19H19FN2O4 — CID 143647632

IUPACethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
SMILESCC.COc1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1C
InChIInChI=1S/C17H13FN2O4.C2H6/c1-10-7-14-12(9-17(10)23-2)15(5-6-19-14)24-16-4-3-11(20(21)22)8-13(16)18;1-2/h3-9H,1-2H3;1-2H3
InChIKeySGMVIGFNCAMECA-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.42
Rot. Bonds4

About ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline

ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline (PubChem CID 143647632) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline.

Molecular Properties

Compound Nameethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
PubChem CID143647632
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Nameethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
SMILESCC.COc1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1C
InChIInChI=1S/C17H13FN2O4.C2H6/c1-10-7-14-12(9-17(10)23-2)15(5-6-19-14)24-16-4-3-11(20(21)22)8-13(16)18;1-2/h3-9H,1-2H3;1-2H3
InChIKeySGMVIGFNCAMECA-UHFFFAOYSA-N
XLogP5.42
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate
CID 66916355
6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine
CID 156871736
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one
CID 167564683
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
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine
CID 143171687
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline-3-carbonitrile
CID 69294993
4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane
CID 142137161
4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine
CID 68515325
4-cyclopropyl-6-methoxyquinolin-7-ol;ethane;2-fluoro-1-methyl-4-nitrobenzene
CID 143647690

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline?
The IUPAC name of ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline (CID 143647632) is ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline.
What is the SMILES notation for ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline?
The canonical SMILES for ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline is CC.COc1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1C.
What is the InChIKey of ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline?
The InChIKey is SGMVIGFNCAMECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4.C2H6/c1-10-7-14-12(9-17(10)23-2)15(5-6-19-14)24-16-4-3-11(20(21)22)8-13(16)18;1-2/h3-9H,1-2H3;1-2H3.
What are the key properties of ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline?
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline has a molecular weight of 358.37 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline is sourced from PubChem (CID 143647632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).