2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine

C28H22N2O2 — CID 44530442

IUPAC2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine
SMILESc1ccc(COc2ccccc2COc2ccccc2-c2ccc3cccnc3n2)cc1
InChIInChI=1S/C28H22N2O2/c1-2-9-21(10-3-1)19-31-26-14-6-4-11-23(26)20-32-27-15-7-5-13-24(27)25-17-16-22-12-8-18-29-28(22)30-25/h1-18H,19-20H2
InChIKeyWLNXLEAKFLBMEY-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.45
Rot. Bonds7

About 2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine

2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine (PubChem CID 44530442) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine
PubChem CID44530442
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC Name2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine
SMILESc1ccc(COc2ccccc2COc2ccccc2-c2ccc3cccnc3n2)cc1
InChIInChI=1S/C28H22N2O2/c1-2-9-21(10-3-1)19-31-26-14-6-4-11-23(26)20-32-27-15-7-5-13-24(27)25-17-16-22-12-8-18-29-28(22)30-25/h1-18H,19-20H2
InChIKeyWLNXLEAKFLBMEY-UHFFFAOYSA-N
XLogP6.45
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine?
The IUPAC name of 2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine (CID 44530442) is 2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine.
What is the SMILES notation for 2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine?
The canonical SMILES for 2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine is c1ccc(COc2ccccc2COc2ccccc2-c2ccc3cccnc3n2)cc1.
What is the InChIKey of 2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine?
The InChIKey is WLNXLEAKFLBMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c1-2-9-21(10-3-1)19-31-26-14-6-4-11-23(26)20-32-27-15-7-5-13-24(27)25-17-16-22-12-8-18-29-28(22)30-25/h1-18H,19-20H2.
What are the key properties of 2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine?
2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine has a molecular weight of 418.50 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-phenylmethoxyphenyl)methoxy]phenyl]-1,8-naphthyridine is sourced from PubChem (CID 44530442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).