1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one

C18H14FN3O5 — CID 167564683

IUPAC1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one
SMILESCOc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2nc1CC(C)=O
InChIInChI=1S/C18H14FN3O5/c1-10(23)7-13-17(26-2)9-14-18(21-13)16(5-6-20-14)27-15-4-3-11(22(24)25)8-12(15)19/h3-6,8-9H,7H2,1-2H3
InChIKeyGMQDZPSKSLEHFC-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.61
Rot. Bonds6

About 1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one

1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one (PubChem CID 167564683) has the molecular formula C18H14FN3O5 and a molecular weight of 371.32 g/mol. Its IUPAC name is 1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one
PubChem CID167564683
Molecular FormulaC18H14FN3O5
Molecular Weight371.32 g/mol
Exact Mass371.09
IUPAC Name1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one
SMILESCOc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2nc1CC(C)=O
InChIInChI=1S/C18H14FN3O5/c1-10(23)7-13-17(26-2)9-14-18(21-13)16(5-6-20-14)27-15-4-3-11(22(24)25)8-12(15)19/h3-6,8-9H,7H2,1-2H3
InChIKeyGMQDZPSKSLEHFC-UHFFFAOYSA-N
XLogP3.61
TPSA104.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.61
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

methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate
CID 66916355
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine
CID 139349383
7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid
CID 59424536
5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline
CID 141314832
2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol
CID 69341594
2-bromo-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 59424521
CID 89281854
CID 89281854
6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine
CID 156871736
1-[3-[(2-fluoro-4-nitrophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 46484681

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one?
The IUPAC name of 1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one (CID 167564683) is 1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one.
What is the SMILES notation for 1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one?
The canonical SMILES for 1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one is COc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2nc1CC(C)=O.
What is the InChIKey of 1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one?
The InChIKey is GMQDZPSKSLEHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O5/c1-10(23)7-13-17(26-2)9-14-18(21-13)16(5-6-20-14)27-15-4-3-11(22(24)25)8-12(15)19/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one?
1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one has a molecular weight of 371.32 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one is sourced from PubChem (CID 167564683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).