4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline

C17H13FN2O3 — CID 134392084

IUPAC4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
SMILESCc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2cc1C
InChIInChI=1S/C17H13FN2O3/c1-10-7-13-15(8-11(10)2)19-6-5-16(13)23-17-4-3-12(20(21)22)9-14(17)18/h3-9H,1-2H3
InChIKeyKMHLHKPLZVIRAS-UHFFFAOYSA-N
MW312.30 g/mol
LogP4.69
Rot. Bonds3

About 4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline

4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline (PubChem CID 134392084) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline.

Molecular Properties

Compound Name4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
PubChem CID134392084
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
SMILESCc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2cc1C
InChIInChI=1S/C17H13FN2O3/c1-10-7-13-15(8-11(10)2)19-6-5-16(13)23-17-4-3-12(20(21)22)9-14(17)18/h3-9H,1-2H3
InChIKeyKMHLHKPLZVIRAS-UHFFFAOYSA-N
XLogP4.69
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate
CID 66916355
6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine
CID 156871736
4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine
CID 68515325
2-bromo-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 59424521
CID 89281854
CID 89281854
ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine
CID 143171687
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
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-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one
CID 167564683
7-(2-fluoro-4-nitrophenoxy)-2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridine
CID 174676619

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline?
The IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline (CID 134392084) is 4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline.
What is the SMILES notation for 4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline?
The canonical SMILES for 4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline is Cc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2cc1C.
What is the InChIKey of 4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline?
The InChIKey is KMHLHKPLZVIRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-10-7-13-15(8-11(10)2)19-6-5-16(13)23-17-4-3-12(20(21)22)9-14(17)18/h3-9H,1-2H3.
What are the key properties of 4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline?
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline has a molecular weight of 312.30 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline is sourced from PubChem (CID 134392084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).