2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine

C16H13N3O5 — CID 139349383

IUPAC2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine
SMILESCOc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3)c2nc1OC
InChIInChI=1S/C16H13N3O5/c1-22-14-9-12-15(18-16(14)23-2)13(7-8-17-12)24-11-5-3-10(4-6-11)19(20)21/h3-9H,1-2H3
InChIKeyVXSNQECYTWERKT-UHFFFAOYSA-N
MW327.30 g/mol
LogP3.35
Rot. Bonds5

About 2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine

2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine (PubChem CID 139349383) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine.

Molecular Properties

Compound Name2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine
PubChem CID139349383
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC Name2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine
SMILESCOc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3)c2nc1OC
InChIInChI=1S/C16H13N3O5/c1-22-14-9-12-15(18-16(14)23-2)13(7-8-17-12)24-11-5-3-10(4-6-11)19(20)21/h3-9H,1-2H3
InChIKeyVXSNQECYTWERKT-UHFFFAOYSA-N
XLogP3.35
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 53.35
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'}

Analyze 2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-3-(2-methoxyethoxy)-8-[(5-nitro-2-pyridinyl)oxy]-1,5-naphthyridine
CID 139349408
1-[8-(2-fluoro-4-nitrophenoxy)-3-methoxy-1,5-naphthyridin-2-yl]propan-2-one
CID 167564683
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile
CID 160747273
2-methyl-4-(4-nitrophenoxy)furo[2,3-b]pyridine
CID 58272180
4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride
CID 133054183
2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
CID 13145675
3-methoxy-4-(4-nitrophenoxy)benzoic acid
CID 61395589
4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane
CID 142137161
2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
CID 104707690
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine?
The IUPAC name of 2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine (CID 139349383) is 2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine.
What is the SMILES notation for 2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine?
The canonical SMILES for 2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine is COc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3)c2nc1OC.
What is the InChIKey of 2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine?
The InChIKey is VXSNQECYTWERKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c1-22-14-9-12-15(18-16(14)23-2)13(7-8-17-12)24-11-5-3-10(4-6-11)19(20)21/h3-9H,1-2H3.
What are the key properties of 2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine?
2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine has a molecular weight of 327.30 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine is sourced from PubChem (CID 139349383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).