2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride

C23H22ClN5O — CID 141100265

IUPAC2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride
SMILESCl.c1ccc(-c2nn[nH]n2)c(-c2ccc(COc3ccc4c(n3)CCCC4)cc2)c1
InChIInChI=1S/C23H21N5O.ClH/c1-4-8-21-18(5-1)13-14-22(24-21)29-15-16-9-11-17(12-10-16)19-6-2-3-7-20(19)23-25-27-28-26-23;/h2-3,6-7,9-14H,1,4-5,8,15H2,(H,25,26,27,28);1H
InChIKeyFMZWHDVRBJIAIR-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.81
Rot. Bonds5

About 2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride

2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride (PubChem CID 141100265) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride
PubChem CID141100265
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride
SMILESCl.c1ccc(-c2nn[nH]n2)c(-c2ccc(COc3ccc4c(n3)CCCC4)cc2)c1
InChIInChI=1S/C23H21N5O.ClH/c1-4-8-21-18(5-1)13-14-22(24-21)29-15-16-9-11-17(12-10-16)19-6-2-3-7-20(19)23-25-27-28-26-23;/h2-3,6-7,9-14H,1,4-5,8,15H2,(H,25,26,27,28);1H
InChIKeyFMZWHDVRBJIAIR-UHFFFAOYSA-N
XLogP4.81
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 141400148
methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride
CID 19771802
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine
CID 19771703
2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-benzimidazol-4-one
CID 58153855
2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride
CID 19771851
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-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487
2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride
CID 139618457
CID 67885779
CID 67885779
3-[2-(2H-tetrazol-5-yl)phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4-triene
CID 143720555
methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate
CID 14950504
2-ethyl-7-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10435012

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride?
The IUPAC name of 2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride (CID 141100265) is 2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride is Cl.c1ccc(-c2nn[nH]n2)c(-c2ccc(COc3ccc4c(n3)CCCC4)cc2)c1.
What is the InChIKey of 2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride?
The InChIKey is FMZWHDVRBJIAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O.ClH/c1-4-8-21-18(5-1)13-14-22(24-21)29-15-16-9-11-17(12-10-16)19-6-2-3-7-20(19)23-25-27-28-26-23;/h2-3,6-7,9-14H,1,4-5,8,15H2,(H,25,26,27,28);1H.
What are the key properties of 2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride?
2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride has a molecular weight of 419.92 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 141100265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).