2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline

C103H87N17O4 — CID 91309157

IUPAC2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
SMILESCC(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(-c2nn[nH]n2)c1.c1cc(CCc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2cn[nH]n2)c1.c1cc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2ncn[nH]2)c1.c1ccc2nc(COc3ccc(Cc4ccc(-c5ncn[nH]5)cc4)cc3)ccc2c1
InChIInChI=1S/C27H24N4O.C26H23N5O.2C25H20N4O/c1-2-10-27-23(8-1)13-14-24(29-27)19-32-26-9-4-6-21(17-26)12-11-20-5-3-7-22(15-20)16-25-18-28-31-30-25;1-18(21-8-5-9-22(16-21)26-28-30-31-29-26)14-19-6-4-10-24(15-19)32-17-23-13-12-20-7-2-3-11-25(20)27-23;1-2-7-24-20(5-1)10-11-22(28-24)16-30-23-12-8-18(9-13-23)14-19-4-3-6-21(15-19)25-26-17-27-29-25;1-2-4-24-20(3-1)11-12-22(28-24)16-30-23-13-7-19(8-14-23)15-18-5-9-21(10-6-18)25-26-17-27-29-25/h1-10,13-15,17-18H,11-12,16,19H2,(H,28,30,31);2-13,15-16,18H,14,17H2,1H3,(H,28,29,30,31);1-13,15,17H,14,16H2,(H,26,27,29);1-14,17H,15-16H2,(H,26,27,29)
InChIKeyOSNRZCJTARBUBJ-UHFFFAOYSA-N
MW1626.94 g/mol
LogP21.03
Rot. Bonds27

About 2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline

2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline (PubChem CID 91309157) has the molecular formula C103H87N17O4 and a molecular weight of 1626.94 g/mol. Its IUPAC name is 2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
PubChem CID91309157
Molecular FormulaC103H87N17O4
Molecular Weight1626.94 g/mol
Exact Mass1625.71
IUPAC Name2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
SMILESCC(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(-c2nn[nH]n2)c1.c1cc(CCc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2cn[nH]n2)c1.c1cc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2ncn[nH]2)c1.c1ccc2nc(COc3ccc(Cc4ccc(-c5ncn[nH]5)cc4)cc3)ccc2c1
InChIInChI=1S/C27H24N4O.C26H23N5O.2C25H20N4O/c1-2-10-27-23(8-1)13-14-24(29-27)19-32-26-9-4-6-21(17-26)12-11-20-5-3-7-22(15-20)16-25-18-28-31-30-25;1-18(21-8-5-9-22(16-21)26-28-30-31-29-26)14-19-6-4-10-24(15-19)32-17-23-13-12-20-7-2-3-11-25(20)27-23;1-2-7-24-20(5-1)10-11-22(28-24)16-30-23-12-8-18(9-13-23)14-19-4-3-6-21(15-19)25-26-17-27-29-25;1-2-4-24-20(3-1)11-12-22(28-24)16-30-23-13-7-19(8-14-23)15-18-5-9-21(10-6-18)25-26-17-27-29-25/h1-10,13-15,17-18H,11-12,16,19H2,(H,28,30,31);2-13,15-16,18H,14,17H2,1H3,(H,28,29,30,31);1-13,15,17H,14,16H2,(H,26,27,29);1-14,17H,15-16H2,(H,26,27,29)
InChIKeyOSNRZCJTARBUBJ-UHFFFAOYSA-N
XLogP21.03
TPSA267.65 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001626.94
LogP ≤ 521.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline with MolForge

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Related Compounds

2-[6-[[[2-[2-Amino-8-(1,1-difluoroethoxy)quinazolin-4-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol;2-[6-[[4-(2-amino-7-methylquinazolin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol;tris(2-[6-[[4-(2-amino-8-methylquinazolin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol);2-[6-[[[2-(2-aminoquinazolin-4-yl)-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol
CID 157054160
cumene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;[(3S)-2-methylpentan-3-yl]benzene;(2-methyl-1-phenylpropyl)benzene;1-methyl-3-propan-2-ylindazole;4-methyl-3-(3-propan-2-ylphenyl)-1,2,4-triazole;5-methyl-3-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-ylpyridine;1-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1-phenoxy-2-propan-2-ylbenzene;1-propan-2-ylisoquinoline;3-(3-propan-2-ylphenoxy)oxetane;3-propan-2-yl-5-propan-2-yloxypyridine
CID 161979779
2-[[3-methyl-1-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-3H-inden-5-yl]oxymethyl]quinoline
CID 21014275
2-[[4-(2-methyl-6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]methyl]quinoline;2-[[4-(4-pyridazin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline
CID 69225440
2-[[4-[[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[(E)-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 90714068
2-[[3-[[3-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 91265267
2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 91430307
4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
CID 144929858
Methane;3-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;5-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 157324892
N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine
CID 157446786
6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 157452324
1-(1H-indol-3-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(6-methoxynaphthalen-2-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-quinolin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(3-propan-2-ylphenyl)methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-1-pyridin-3-ylmethanimine
CID 157683784

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline (CID 91309157) is 2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline is CC(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(-c2nn[nH]n2)c1.c1cc(CCc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2cn[nH]n2)c1.c1cc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2ncn[nH]2)c1.c1ccc2nc(COc3ccc(Cc4ccc(-c5ncn[nH]5)cc4)cc3)ccc2c1.
What is the InChIKey of 2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?
The InChIKey is OSNRZCJTARBUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O.C26H23N5O.2C25H20N4O/c1-2-10-27-23(8-1)13-14-24(29-27)19-32-26-9-4-6-21(17-26)12-11-20-5-3-7-22(15-20)16-25-18-28-31-30-25;1-18(21-8-5-9-22(16-21)26-28-30-31-29-26)14-19-6-4-10-24(15-19)32-17-23-13-12-20-7-2-3-11-25(20)27-23;1-2-7-24-20(5-1)10-11-22(28-24)16-30-23-12-8-18(9-13-23)14-19-4-3-6-21(15-19)25-26-17-27-29-25;1-2-4-24-20(3-1)11-12-22(28-24)16-30-23-13-7-19(8-14-23)15-18-5-9-21(10-6-18)25-26-17-27-29-25/h1-10,13-15,17-18H,11-12,16,19H2,(H,28,30,31);2-13,15-16,18H,14,17H2,1H3,(H,28,29,30,31);1-13,15,17H,14,16H2,(H,26,27,29);1-14,17H,15-16H2,(H,26,27,29).
What are the key properties of 2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?
2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline has a molecular weight of 1626.94 g/mol, XLogP of 21.03, 27 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 91309157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).