2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine

C27H26N6O2 — CID 57313427

IUPAC2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine
SMILESCCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2cc(OCCN)ccc2n1
InChIInChI=1S/C27H26N6O2/c1-2-20-15-26(24-16-21(34-13-12-28)9-11-25(24)29-20)35-17-18-8-10-22(19-6-4-3-5-7-19)23(14-18)27-30-32-33-31-27/h3-11,14-16H,2,12-13,17,28H2,1H3,(H,30,31,32,33)
InChIKeyCZOHCYYGTYGICS-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.56
Rot. Bonds9

About 2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine

2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine (PubChem CID 57313427) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine.

Molecular Properties

Compound Name2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine
PubChem CID57313427
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine
SMILESCCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2cc(OCCN)ccc2n1
InChIInChI=1S/C27H26N6O2/c1-2-20-15-26(24-16-21(34-13-12-28)9-11-25(24)29-20)35-17-18-8-10-22(19-6-4-3-5-7-19)23(14-18)27-30-32-33-31-27/h3-11,14-16H,2,12-13,17,28H2,1H3,(H,30,31,32,33)
InChIKeyCZOHCYYGTYGICS-UHFFFAOYSA-N
XLogP4.56
TPSA111.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine with MolForge

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Related Compounds

2-ethyl-6-methoxy-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57314307
2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile
CID 57011234
2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57281004
2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 57197947
2-ethyl-7-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10435012
6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 57006957
2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine
CID 57206384
ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate
CID 57246030
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine
CID 19771703
5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate
CID 22010194
6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 19771734
3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine
CID 174271702

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine?
The IUPAC name of 2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine (CID 57313427) is 2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine.
What is the SMILES notation for 2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine?
The canonical SMILES for 2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine is CCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2cc(OCCN)ccc2n1.
What is the InChIKey of 2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine?
The InChIKey is CZOHCYYGTYGICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-2-20-15-26(24-16-21(34-13-12-28)9-11-25(24)29-20)35-17-18-8-10-22(19-6-4-3-5-7-19)23(14-18)27-30-32-33-31-27/h3-11,14-16H,2,12-13,17,28H2,1H3,(H,30,31,32,33).
What are the key properties of 2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine?
2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine has a molecular weight of 466.55 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine is sourced from PubChem (CID 57313427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).