2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline

C26H27N5O — CID 3201650

IUPAC2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(C(c2nnnn2CCc2ccccc2)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C26H27N5O/c1-32-24-13-11-22(12-14-24)25(30-17-16-21-9-5-6-10-23(21)19-30)26-27-28-29-31(26)18-15-20-7-3-2-4-8-20/h2-14,25H,15-19H2,1H3
InChIKeyKQMJHSKLWVTLCW-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.07
Rot. Bonds7

About 2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline

2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 3201650) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID3201650
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(C(c2nnnn2CCc2ccccc2)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C26H27N5O/c1-32-24-13-11-22(12-14-24)25(30-17-16-21-9-5-6-10-23(21)19-30)26-27-28-29-31(26)18-15-20-7-3-2-4-8-20/h2-14,25H,15-19H2,1H3
InChIKeyKQMJHSKLWVTLCW-UHFFFAOYSA-N
XLogP4.07
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(R)-(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 1433706
4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2-methoxyphenol
CID 3201686
1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1449129
2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline
CID 1454839
2-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 7383007
2-[(S)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 7382969
2-[(S)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1433685
1-[(4-ethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 175654297
2-[4-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole;hydrochloride
CID 171668065
2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]-3,4-dihydro-1H-isoquinoline
CID 3229154
1-[(S)-(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 7206217
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 171668058

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline (CID 3201650) is 2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline is COc1ccc(C(c2nnnn2CCc2ccccc2)N2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is KQMJHSKLWVTLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-32-24-13-11-22(12-14-24)25(30-17-16-21-9-5-6-10-23(21)19-30)26-27-28-29-31(26)18-15-20-7-3-2-4-8-20/h2-14,25H,15-19H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline?
2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 425.54 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 3201650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).