2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline

C26H23N5O2 — CID 10005096

IUPAC2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
SMILESCCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cccc(OC)c2n1
InChIInChI=1S/C26H23N5O2/c1-3-19-15-24(22-9-6-10-23(32-2)25(22)27-19)33-16-17-11-13-18(14-12-17)20-7-4-5-8-21(20)26-28-30-31-29-26/h4-15H,3,16H2,1-2H3,(H,28,29,30,31)
InChIKeyCHPCFSFJWCGLPM-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.23
Rot. Bonds7

About 2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline

2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline (PubChem CID 10005096) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline.

Molecular Properties

Compound Name2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
PubChem CID10005096
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
SMILESCCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cccc(OC)c2n1
InChIInChI=1S/C26H23N5O2/c1-3-19-15-24(22-9-6-10-23(32-2)25(22)27-19)33-16-17-11-13-18(14-12-17)20-7-4-5-8-21(20)26-28-30-31-29-26/h4-15H,3,16H2,1-2H3,(H,28,29,30,31)
InChIKeyCHPCFSFJWCGLPM-UHFFFAOYSA-N
XLogP5.23
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline with MolForge

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Related Compounds

3-Methoxy-2,6-dimethyl-4-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methoxy)pyridine
CID 178553
RG 7152
CID 129968
2-((4-((2-(2H-Tetrazol-5-ylmethyl)phenyl)methoxy)phenoxy)methyl)quinoline
CID 129044
2-Ethyl-4-(2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethoxy)-5,6,7,8-tetrahydroquinoline
CID 9887844
2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine
CID 19890807
3-butyl-1-oxido-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoxalin-1-ium
CID 44212339
Diaplasinin
CID 6450820
5-[(2-ethylquinolin-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 10344188
Ici D8731
CID 132562
2-butyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoxaline
CID 9802344
2-{3-[4-(1H-Tetrazol-5-yl)-butoxy]-phenoxymethyl}-quinoline
CID 9820984
2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 9842487

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
The IUPAC name of 2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline (CID 10005096) is 2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline.
What is the SMILES notation for 2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
The canonical SMILES for 2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline is CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cccc(OC)c2n1.
What is the InChIKey of 2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
The InChIKey is CHPCFSFJWCGLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-3-19-15-24(22-9-6-10-23(32-2)25(22)27-19)33-16-17-11-13-18(14-12-17)20-7-4-5-8-21(20)26-28-30-31-29-26/h4-15H,3,16H2,1-2H3,(H,28,29,30,31).
What are the key properties of 2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline has a molecular weight of 437.50 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline is sourced from PubChem (CID 10005096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).