4,7-diethoxy-2-phenyl-1,8-naphthyridine

C18H18N2O2 — CID 11415171

IUPAC4,7-diethoxy-2-phenyl-1,8-naphthyridine
SMILESCCOc1ccc2c(OCC)cc(-c3ccccc3)nc2n1
InChIInChI=1S/C18H18N2O2/c1-3-21-16-12-15(13-8-6-5-7-9-13)19-18-14(16)10-11-17(20-18)22-4-2/h5-12H,3-4H2,1-2H3
InChIKeyNIZRNYKHWFUXOA-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.09
Rot. Bonds5

About 4,7-diethoxy-2-phenyl-1,8-naphthyridine

4,7-diethoxy-2-phenyl-1,8-naphthyridine (PubChem CID 11415171) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4,7-diethoxy-2-phenyl-1,8-naphthyridine.

Molecular Properties

Compound Name4,7-diethoxy-2-phenyl-1,8-naphthyridine
PubChem CID11415171
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4,7-diethoxy-2-phenyl-1,8-naphthyridine
SMILESCCOc1ccc2c(OCC)cc(-c3ccccc3)nc2n1
InChIInChI=1S/C18H18N2O2/c1-3-21-16-12-15(13-8-6-5-7-9-13)19-18-14(16)10-11-17(20-18)22-4-2/h5-12H,3-4H2,1-2H3
InChIKeyNIZRNYKHWFUXOA-UHFFFAOYSA-N
XLogP4.09
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-diethoxy-2-phenyl-1,8-naphthyridine?
The IUPAC name of 4,7-diethoxy-2-phenyl-1,8-naphthyridine (CID 11415171) is 4,7-diethoxy-2-phenyl-1,8-naphthyridine.
What is the SMILES notation for 4,7-diethoxy-2-phenyl-1,8-naphthyridine?
The canonical SMILES for 4,7-diethoxy-2-phenyl-1,8-naphthyridine is CCOc1ccc2c(OCC)cc(-c3ccccc3)nc2n1.
What is the InChIKey of 4,7-diethoxy-2-phenyl-1,8-naphthyridine?
The InChIKey is NIZRNYKHWFUXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-21-16-12-15(13-8-6-5-7-9-13)19-18-14(16)10-11-17(20-18)22-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 4,7-diethoxy-2-phenyl-1,8-naphthyridine?
4,7-diethoxy-2-phenyl-1,8-naphthyridine has a molecular weight of 294.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diethoxy-2-phenyl-1,8-naphthyridine is sourced from PubChem (CID 11415171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).