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

C26H23N5O — CID 10027148

IUPAC2-ethyl-5-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
SMILESCCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(C)cccc2n1
InChIInChI=1S/C26H23N5O/c1-3-20-15-24(25-17(2)7-6-10-23(25)27-20)32-16-18-11-13-19(14-12-18)21-8-4-5-9-22(21)26-28-30-31-29-26/h4-15H,3,16H2,1-2H3,(H,28,29,30,31)
InChIKeyZHOACHHSOFREMM-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.53
Rot. Bonds6

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

2-ethyl-5-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline (PubChem CID 10027148) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
PubChem CID10027148
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name2-ethyl-5-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
SMILESCCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(C)cccc2n1
InChIInChI=1S/C26H23N5O/c1-3-20-15-24(25-17(2)7-6-10-23(25)27-20)32-16-18-11-13-19(14-12-18)21-8-4-5-9-22(21)26-28-30-31-29-26/h4-15H,3,16H2,1-2H3,(H,28,29,30,31)
InChIKeyZHOACHHSOFREMM-UHFFFAOYSA-N
XLogP5.53
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-5-methyl-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-Ethyl-4-(2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethoxy)-5,6,7,8-tetrahydroquinoline
CID 9887844
2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine
CID 10452674
Ici D8731
CID 132562
2-((4-((2-(2H-Tetrazol-5-ylmethyl)phenyl)methoxy)phenoxy)methyl)quinoline
CID 129044
2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine
CID 19890807
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
2-[5-Methyl-5-(1H-tetrazol-5-yl)-hexyloxy]-4,6-diphenyl-pyridine
CID 178581
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-5-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
The IUPAC name of 2-ethyl-5-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline (CID 10027148) is 2-ethyl-5-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline.
What is the SMILES notation for 2-ethyl-5-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
The canonical SMILES for 2-ethyl-5-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline is CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(C)cccc2n1.
What is the InChIKey of 2-ethyl-5-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
The InChIKey is ZHOACHHSOFREMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-3-20-15-24(25-17(2)7-6-10-23(25)27-20)32-16-18-11-13-19(14-12-18)21-8-4-5-9-22(21)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-5-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
2-ethyl-5-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline has a molecular weight of 421.50 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline is sourced from PubChem (CID 10027148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).