5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline

C17H13FN2O4 — CID 630083

IUPAC5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline
SMILESCOc1cc([N+](=O)[O-])c2nc(C)ccc2c1Oc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O4/c1-10-3-8-13-16(19-10)14(20(21)22)9-15(23-2)17(13)24-12-6-4-11(18)5-7-12/h3-9H,1-2H3
InChIKeyGGRQSCQJCROQOL-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.39
Rot. Bonds4

About 5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline

5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline (PubChem CID 630083) has the molecular formula C17H13FN2O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline
PubChem CID630083
Molecular FormulaC17H13FN2O4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline
SMILESCOc1cc([N+](=O)[O-])c2nc(C)ccc2c1Oc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O4/c1-10-3-8-13-16(19-10)14(20(21)22)9-15(23-2)17(13)24-12-6-4-11(18)5-7-12/h3-9H,1-2H3
InChIKeyGGRQSCQJCROQOL-UHFFFAOYSA-N
XLogP4.39
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.39
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

5-fluoro-1,2-dimethoxy-3-nitrobenzene
CID 118807824
5,6-dichloro-2-methyl-8-nitroquinoline
CID 138490128
1-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
CID 133413588
6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline
CID 57350827
5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine
CID 162431890
2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
CID 81133094
2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 11058632
4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid
CID 170440928
4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 112722723
1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene
CID 142787352
2-(4-bromophenoxy)-4-fluoro-1-nitrobenzene
CID 62377093
4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 63672086

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline?
The IUPAC name of 5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline (CID 630083) is 5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline.
What is the SMILES notation for 5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline?
The canonical SMILES for 5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline is COc1cc([N+](=O)[O-])c2nc(C)ccc2c1Oc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline?
The InChIKey is GGRQSCQJCROQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4/c1-10-3-8-13-16(19-10)14(20(21)22)9-15(23-2)17(13)24-12-6-4-11(18)5-7-12/h3-9H,1-2H3.
What are the key properties of 5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline?
5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline has a molecular weight of 328.30 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline is sourced from PubChem (CID 630083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).