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

C26H28ClN5O — CID 19771851

IUPAC2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride
SMILESCCc1cc(OCc2ccc(-c3c(C)cccc3-c3nn[nH]n3)cc2)c2c(n1)CCCC2.Cl
InChIInChI=1S/C26H27N5O.ClH/c1-3-20-15-24(21-8-4-5-10-23(21)27-20)32-16-18-11-13-19(14-12-18)25-17(2)7-6-9-22(25)26-28-30-31-29-26;/h6-7,9,11-15H,3-5,8,10,16H2,1-2H3,(H,28,29,30,31);1H
InChIKeyVTENAUAGZNNTIU-UHFFFAOYSA-N
MW462.00 g/mol
LogP5.68
Rot. Bonds6

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

2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride (PubChem CID 19771851) has the molecular formula C26H28ClN5O and a molecular weight of 462.00 g/mol. Its IUPAC name is 2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride
PubChem CID19771851
Molecular FormulaC26H28ClN5O
Molecular Weight462.00 g/mol
Exact Mass461.20
IUPAC Name2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride
SMILESCCc1cc(OCc2ccc(-c3c(C)cccc3-c3nn[nH]n3)cc2)c2c(n1)CCCC2.Cl
InChIInChI=1S/C26H27N5O.ClH/c1-3-20-15-24(21-8-4-5-10-23(21)27-20)32-16-18-11-13-19(14-12-18)25-17(2)7-6-9-22(25)26-28-30-31-29-26;/h6-7,9,11-15H,3-5,8,10,16H2,1-2H3,(H,28,29,30,31);1H
InChIKeyVTENAUAGZNNTIU-UHFFFAOYSA-N
XLogP5.68
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.00
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine
CID 19771703
6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 19771734
6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 57006957
2-ethyl-7-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10435012
5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)oxymethyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10095241
2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride
CID 141100265
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
2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 57197947
2-ethyl-6-methoxy-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57314307
2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine
CID 57313427
methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate
CID 14950504
1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine
CID 57152557

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride?
The IUPAC name of 2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride (CID 19771851) is 2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride is CCc1cc(OCc2ccc(-c3c(C)cccc3-c3nn[nH]n3)cc2)c2c(n1)CCCC2.Cl.
What is the InChIKey of 2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride?
The InChIKey is VTENAUAGZNNTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O.ClH/c1-3-20-15-24(21-8-4-5-10-23(21)27-20)32-16-18-11-13-19(14-12-18)25-17(2)7-6-9-22(25)26-28-30-31-29-26;/h6-7,9,11-15H,3-5,8,10,16H2,1-2H3,(H,28,29,30,31);1H.
What are the key properties of 2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride?
2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride has a molecular weight of 462.00 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[4-[2-methyl-6-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 19771851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).