6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine

C31H30N6O — CID 57006957

IUPAC6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2c(n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C31H30N6O/c1-2-25-18-30(28-20-37(16-15-29(28)32-25)19-22-9-5-3-6-10-22)38-21-23-13-14-26(24-11-7-4-8-12-24)27(17-23)31-33-35-36-34-31/h3-14,17-18H,2,15-16,19-21H2,1H3,(H,33,34,35,36)
InChIKeyGXDWRNXLJSKMTH-UHFFFAOYSA-N
MW502.62 g/mol
LogP5.63
Rot. Bonds8

About 6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine

6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 57006957) has the molecular formula C31H30N6O and a molecular weight of 502.62 g/mol. Its IUPAC name is 6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID57006957
Molecular FormulaC31H30N6O
Molecular Weight502.62 g/mol
Exact Mass502.25
IUPAC Name6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2c(n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C31H30N6O/c1-2-25-18-30(28-20-37(16-15-29(28)32-25)19-22-9-5-3-6-10-22)38-21-23-13-14-26(24-11-7-4-8-12-24)27(17-23)31-33-35-36-34-31/h3-14,17-18H,2,15-16,19-21H2,1H3,(H,33,34,35,36)
InChIKeyGXDWRNXLJSKMTH-UHFFFAOYSA-N
XLogP5.63
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 19771734
2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 57197947
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine
CID 19771703
2-ethyl-6-methoxy-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57314307
2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57281004
2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile
CID 57011234
1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine
CID 57152557
2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine
CID 57313427
2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride
CID 19771851
2-ethyl-4-[[4-phenyl-3-(2-trityltetrazol-5-yl)phenyl]methoxy]-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 56981104
2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine
CID 57206384
ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate
CID 57246030

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine (CID 57006957) is 6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine is CCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2c(n1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is GXDWRNXLJSKMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O/c1-2-25-18-30(28-20-37(16-15-29(28)32-25)19-22-9-5-3-6-10-22)38-21-23-13-14-26(24-11-7-4-8-12-24)27(17-23)31-33-35-36-34-31/h3-14,17-18H,2,15-16,19-21H2,1H3,(H,33,34,35,36).
What are the key properties of 6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine?
6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)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-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 57006957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).