2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine

C17H16N4O6 — CID 139349408

IUPAC2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine
SMILESCOCCOc1cc2nccc(Oc3ccc([N+](=O)[O-])cn3)c2nc1OC
InChIInChI=1S/C17H16N4O6/c1-24-7-8-26-14-9-12-16(20-17(14)25-2)13(5-6-18-12)27-15-4-3-11(10-19-15)21(22)23/h3-6,9-10H,7-8H2,1-2H3
InChIKeyXVHNPHCLYIYOLZ-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.76
Rot. Bonds8

About 2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine

2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine (PubChem CID 139349408) has the molecular formula C17H16N4O6 and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine.

Molecular Properties

Compound Name2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine
PubChem CID139349408
Molecular FormulaC17H16N4O6
Molecular Weight372.34 g/mol
Exact Mass372.11
IUPAC Name2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine
SMILESCOCCOc1cc2nccc(Oc3ccc([N+](=O)[O-])cn3)c2nc1OC
InChIInChI=1S/C17H16N4O6/c1-24-7-8-26-14-9-12-16(20-17(14)25-2)13(5-6-18-12)27-15-4-3-11(10-19-15)21(22)23/h3-6,9-10H,7-8H2,1-2H3
InChIKeyXVHNPHCLYIYOLZ-UHFFFAOYSA-N
XLogP2.76
TPSA118.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine
CID 139349383
6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline
CID 68837215
4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile
CID 160747273
1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one
CID 167564683
6-[(5-nitro-2-pyridinyl)oxy]quinoline
CID 47082227
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136
7-(2-methoxyethoxy)-6-nitroquinazoline
CID 86758317
4-chloro-N-[3,5-difluoro-4-[[7-(2-hydroxyethoxy)-6-methoxy-1,5-naphthyridin-4-yl]oxy]phenyl]pyridine-3-carboxamide
CID 168842891
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol
CID 60870486
methyl 5-chloro-2-[(5-nitro-2-pyridinyl)oxy]benzoate
CID 69420575
2-(2,5-difluorophenoxy)-5-nitropyridine
CID 118138295

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine?
The IUPAC name of 2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine (CID 139349408) is 2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine.
What is the SMILES notation for 2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine?
The canonical SMILES for 2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine is COCCOc1cc2nccc(Oc3ccc([N+](=O)[O-])cn3)c2nc1OC.
What is the InChIKey of 2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine?
The InChIKey is XVHNPHCLYIYOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O6/c1-24-7-8-26-14-9-12-16(20-17(14)25-2)13(5-6-18-12)27-15-4-3-11(10-19-15)21(22)23/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine?
2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine has a molecular weight of 372.34 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine is sourced from PubChem (CID 139349408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).