2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline

C75H63N15O3 — CID 158241148

IUPAC2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline
SMILESc1cc(CCc2cccc(-c3nn[nH]n3)c2)cc(OCc2ccc3ccccc3n2)c1.c1cc(CCc2ccccc2-c2nn[nH]n2)cc(OCc2ccc3ccccc3n2)c1.c1ccc2nc(COc3ccc(CCc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1
InChIInChI=1S/3C25H21N5O/c1-3-10-23(25-27-29-30-28-25)19(7-1)13-12-18-6-5-9-22(16-18)31-17-21-15-14-20-8-2-4-11-24(20)26-21;1-2-10-24-20(7-1)13-14-22(26-24)17-31-23-9-4-6-19(16-23)12-11-18-5-3-8-21(15-18)25-27-29-30-28-25;1-2-4-24-20(3-1)13-14-22(26-24)17-31-23-15-9-19(10-16-23)6-5-18-7-11-21(12-8-18)25-27-29-30-28-25/h1-11,14-16H,12-13,17H2,(H,27,28,29,30);1-10,13-16H,11-12,17H2,(H,27,28,29,30);1-4,7-16H,5-6,17H2,(H,27,28,29,30)
InChIKeyGFOAESMAUIKIPV-UHFFFAOYSA-N
MW1222.43 g/mol
LogP14.34
Rot. Bonds21

About 2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline

2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline (PubChem CID 158241148) has the molecular formula C75H63N15O3 and a molecular weight of 1222.43 g/mol. Its IUPAC name is 2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline
PubChem CID158241148
Molecular FormulaC75H63N15O3
Molecular Weight1222.43 g/mol
Exact Mass1221.52
IUPAC Name2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline
SMILESc1cc(CCc2cccc(-c3nn[nH]n3)c2)cc(OCc2ccc3ccccc3n2)c1.c1cc(CCc2ccccc2-c2nn[nH]n2)cc(OCc2ccc3ccccc3n2)c1.c1ccc2nc(COc3ccc(CCc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1
InChIInChI=1S/3C25H21N5O/c1-3-10-23(25-27-29-30-28-25)19(7-1)13-12-18-6-5-9-22(16-18)31-17-21-15-14-20-8-2-4-11-24(20)26-21;1-2-10-24-20(7-1)13-14-22(26-24)17-31-23-9-4-6-19(16-23)12-11-18-5-3-8-21(15-18)25-27-29-30-28-25;1-2-4-24-20(3-1)13-14-22(26-24)17-31-23-15-9-19(10-16-23)6-5-18-7-11-21(12-8-18)25-27-29-30-28-25/h1-11,14-16H,12-13,17H2,(H,27,28,29,30);1-10,13-16H,11-12,17H2,(H,27,28,29,30);1-4,7-16H,5-6,17H2,(H,27,28,29,30)
InChIKeyGFOAESMAUIKIPV-UHFFFAOYSA-N
XLogP14.34
TPSA229.74 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001222.43
LogP ≤ 514.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline with MolForge

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Related Compounds

Ici D8731
CID 132562
2-((4-((2-(2H-Tetrazol-5-ylmethyl)phenyl)methoxy)phenoxy)methyl)quinoline
CID 129044
Diaplasinin
CID 6450820
2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 9842487
2-Methyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-quinoline
CID 9886863
2-{3-[3-(1H-Tetrazol-5-yl)-phenoxymethyl]-phenoxymethyl}-quinoline
CID 9909426
2-{4-[3-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenoxymethyl}-quinoline
CID 9932067
2-[4-(1H-Tetrazol-5-ylmethyl)-phenoxymethyl]-quinoline
CID 9948863
2,8-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 9980879
2-ethyl-8-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10005096
2-ethyl-6-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10027836
2-{4-[3-(1H-Tetrazol-5-ylmethoxy)-benzyloxy]-phenoxymethyl}-quinoline
CID 10114090

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline (CID 158241148) is 2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline is c1cc(CCc2cccc(-c3nn[nH]n3)c2)cc(OCc2ccc3ccccc3n2)c1.c1cc(CCc2ccccc2-c2nn[nH]n2)cc(OCc2ccc3ccccc3n2)c1.c1ccc2nc(COc3ccc(CCc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1.
What is the InChIKey of 2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline?
The InChIKey is GFOAESMAUIKIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H21N5O/c1-3-10-23(25-27-29-30-28-25)19(7-1)13-12-18-6-5-9-22(16-18)31-17-21-15-14-20-8-2-4-11-24(20)26-21;1-2-10-24-20(7-1)13-14-22(26-24)17-31-23-9-4-6-19(16-23)12-11-18-5-3-8-21(15-18)25-27-29-30-28-25;1-2-4-24-20(3-1)13-14-22(26-24)17-31-23-15-9-19(10-16-23)6-5-18-7-11-21(12-8-18)25-27-29-30-28-25/h1-11,14-16H,12-13,17H2,(H,27,28,29,30);1-10,13-16H,11-12,17H2,(H,27,28,29,30);1-4,7-16H,5-6,17H2,(H,27,28,29,30).
What are the key properties of 2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline?
2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline has a molecular weight of 1222.43 g/mol, XLogP of 14.34, 21 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-[2-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 158241148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).