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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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).