2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline

C25H21N5O3 — CID 10114090

IUPAC2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESc1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(OCc2nn[nH]n2)c1
InChIInChI=1S/C25H21N5O3/c1-2-7-24-19(5-1)8-9-20(26-24)16-32-22-12-10-21(11-13-22)31-15-18-4-3-6-23(14-18)33-17-25-27-29-30-28-25/h1-14H,15-17H2,(H,27,28,29,30)
InChIKeyBTNKCEIKEDQJMC-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.48
Rot. Bonds9

About 2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline

2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 10114090) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
PubChem CID10114090
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESc1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(OCc2nn[nH]n2)c1
InChIInChI=1S/C25H21N5O3/c1-2-7-24-19(5-1)8-9-20(26-24)16-32-22-12-10-21(11-13-22)31-15-18-4-3-6-23(14-18)33-17-25-27-29-30-28-25/h1-14H,15-17H2,(H,27,28,29,30)
InChIKeyBTNKCEIKEDQJMC-UHFFFAOYSA-N
XLogP4.48
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline with MolForge

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Related Compounds

RG 7152
CID 129968
Ici D8731
CID 132562
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
7-{2-[3-(Quinolin-2-ylmethoxy)-phenyl]-ethyl}-2-(1H-tetrazol-5-yl)-chroman-4-one
CID 15675873
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
2-{3-Methyl-5-[3-(1H-tetrazol-5-yl)-propoxy]-phenoxymethyl}-quinoline
CID 9885950
2-Methyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-quinoline
CID 9886863
2-{3-[3-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenoxymethyl}-quinoline
CID 9888538
2-{3-[2-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenoxymethyl}-quinoline
CID 9888539

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline (CID 10114090) is 2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline is c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(OCc2nn[nH]n2)c1.
What is the InChIKey of 2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
The InChIKey is BTNKCEIKEDQJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-2-7-24-19(5-1)8-9-20(26-24)16-32-22-12-10-21(11-13-22)31-15-18-4-3-6-23(14-18)33-17-25-27-29-30-28-25/h1-14H,15-17H2,(H,27,28,29,30).
What are the key properties of 2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline?
2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 439.48 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[3-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 10114090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).