1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride

C19H22ClN5 — CID 6603629

IUPAC1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride
SMILESCl.c1ccc(CCn2nnnc2CN2CCCc3ccccc32)cc1
InChIInChI=1S/C19H21N5.ClH/c1-2-7-16(8-3-1)12-14-24-19(20-21-22-24)15-23-13-6-10-17-9-4-5-11-18(17)23;/h1-5,7-9,11H,6,10,12-15H2;1H
InChIKeyCVMIBKDJNCGJAX-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.29
Rot. Bonds5

About 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride

1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride (PubChem CID 6603629) has the molecular formula C19H22ClN5 and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride.

Molecular Properties

Compound Name1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride
PubChem CID6603629
Molecular FormulaC19H22ClN5
Molecular Weight355.87 g/mol
Exact Mass355.16
IUPAC Name1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride
SMILESCl.c1ccc(CCn2nnnc2CN2CCCc3ccccc32)cc1
InChIInChI=1S/C19H21N5.ClH/c1-2-7-16(8-3-1)12-14-24-19(20-21-22-24)15-23-13-6-10-17-9-4-5-11-18(17)23;/h1-5,7-9,11H,6,10,12-15H2;1H
InChIKeyCVMIBKDJNCGJAX-UHFFFAOYSA-N
XLogP3.29
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-((1-benzyl-1H-tetrazol-5-yl)(4-(4-methylpiperazin-1-yl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159636
3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 2998993
1-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
1-(5-Chloro-2-methyl-phenyl)-4-(1-cyclohexyl-1H-tetrazol-5-ylmethyl)-piperazine
CID 649196
4-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-N,N-dimethylaniline
CID 650290
3-[(1-tert-Butyl-1H-tetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)-methyl]-benzonitrile
CID 651969
1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline
CID 651993
1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-4-phenyl-piperazine
CID 653777
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2,3-dihydro-1H-indole
CID 3173811
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2,3-dihydro-1H-indole
CID 3173816

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride?
The IUPAC name of 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride (CID 6603629) is 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride.
What is the SMILES notation for 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride?
The canonical SMILES for 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride is Cl.c1ccc(CCn2nnnc2CN2CCCc3ccccc32)cc1.
What is the InChIKey of 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride?
The InChIKey is CVMIBKDJNCGJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5.ClH/c1-2-7-16(8-3-1)12-14-24-19(20-21-22-24)15-23-13-6-10-17-9-4-5-11-18(17)23;/h1-5,7-9,11H,6,10,12-15H2;1H.
What are the key properties of 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride?
1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline;hydrochloride is sourced from PubChem (CID 6603629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).