N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide

C18H18N6O — CID 47024719

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1ccccc1N1CCc2ccccc2C1
InChIInChI=1S/C18H18N6O/c25-18(12-24-13-19-21-22-24)20-16-7-3-4-8-17(16)23-10-9-14-5-1-2-6-15(14)11-23/h1-8,13H,9-12H2,(H,20,25)
InChIKeyOEUISSRIMMMHIJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.87
Rot. Bonds4

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 47024719) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
PubChem CID47024719
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1ccccc1N1CCc2ccccc2C1
InChIInChI=1S/C18H18N6O/c25-18(12-24-13-19-21-22-24)20-16-7-3-4-8-17(16)23-10-9-14-5-1-2-6-15(14)11-23/h1-8,13H,9-12H2,(H,20,25)
InChIKeyOEUISSRIMMMHIJ-UHFFFAOYSA-N
XLogP1.87
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 1439317
3-(1-benzyltetrazol-5-yl)-6,7-dimethyl-1H-quinoxalin-2-one
CID 136153815
N-(2-benzylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2612876
2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 1439261
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 8002554
1-(4-Benzylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)anilino]propan-1-one
CID 16285881
4-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
CID 53383693
1-[3-(1H-tetrazol-1-yl)propanoyl]-1',4'-dihydro-3'H-spiro[piperidine-4,2'-quinoxalin]-3'-one
CID 70734150
N-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 1439333
N-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide
CID 9195575
N-(3-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 47004705
N-(3-ethylphenyl)-2-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide
CID 164643219

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide (CID 47024719) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)Nc1ccccc1N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is OEUISSRIMMMHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c25-18(12-24-13-19-21-22-24)20-16-7-3-4-8-17(16)23-10-9-14-5-1-2-6-15(14)11-23/h1-8,13H,9-12H2,(H,20,25).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 334.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 47024719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).