2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine

C23H18N6O — CID 53320976

IUPAC2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine
SMILESCCc1cc(Oc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ncccc2n1
InChIInChI=1S/C23H18N6O/c1-2-16-14-21(22-20(25-16)8-5-13-24-22)30-17-11-9-15(10-12-17)18-6-3-4-7-19(18)23-26-28-29-27-23/h3-14H,2H2,1H3,(H,26,27,28,29)
InChIKeyUUDFDLRPRBJIQE-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.83
Rot. Bonds5

About 2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine

2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine (PubChem CID 53320976) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine.

Molecular Properties

Compound Name2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine
PubChem CID53320976
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine
SMILESCCc1cc(Oc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ncccc2n1
InChIInChI=1S/C23H18N6O/c1-2-16-14-21(22-20(25-16)8-5-13-24-22)30-17-11-9-15(10-12-17)18-6-3-4-7-19(18)23-26-28-29-27-23/h3-14H,2H2,1H3,(H,26,27,28,29)
InChIKeyUUDFDLRPRBJIQE-UHFFFAOYSA-N
XLogP4.83
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine?
The IUPAC name of 2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine (CID 53320976) is 2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine.
What is the SMILES notation for 2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine?
The canonical SMILES for 2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine is CCc1cc(Oc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ncccc2n1.
What is the InChIKey of 2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine?
The InChIKey is UUDFDLRPRBJIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-2-16-14-21(22-20(25-16)8-5-13-24-22)30-17-11-9-15(10-12-17)18-6-3-4-7-19(18)23-26-28-29-27-23/h3-14H,2H2,1H3,(H,26,27,28,29).
What are the key properties of 2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine?
2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine has a molecular weight of 394.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine is sourced from PubChem (CID 53320976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).