6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine

C31H30N6O — CID 19771734

About 6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine

6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 19771734) has the molecular formula C31H30N6O and a molecular weight of 502.62 g/mol. Its IUPAC name is 6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

• Compound Name: 6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
• PubChem CID: 19771734
• Molecular Formula: C31H30N6O
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.25
• IUPAC Name: 6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
• SMILES: CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(n1)CCN(Cc1ccccc1)C2
• InChI: InChI=1S/C31H30N6O/c1-2-25-18-30(28-20-37(17-16-29(28)32-25)19-22-8-4-3-5-9-22)38-21-23-12-14-24(15-13-23)26-10-6-7-11-27(26)31-33-35-36-34-31/h3-15,18H,2,16-17,19-21H2,1H3,(H,33,34,35,36)
• InChIKey: IJPGJSTYOVOKNQ-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 79.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine?

The IUPAC name of 6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine (CID 19771734) is 6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine.

What is the SMILES notation for 6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine?

The canonical SMILES for 6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine is CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(n1)CCN(Cc1ccccc1)C2.

What is the InChIKey of 6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine?

The InChIKey is IJPGJSTYOVOKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O/c1-2-25-18-30(28-20-37(17-16-29(28)32-25)19-22-8-4-3-5-9-22)38-21-23-12-14-24(15-13-23)26-10-6-7-11-27(26)31-33-35-36-34-31/h3-15,18H,2,16-17,19-21H2,1H3,(H,33,34,35,36).

What are the key properties of 6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine?

6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 502.62 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 19771734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).