methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline

C104H97N21O4 — CID 161391217

IUPACmethane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline
SMILESC.C.C.C.CC(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(-c2nn[nH]n2)c1.c1cc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2nn[nH]n2)c1.c1cc(Cn2ccc3cc(OCc4ccc5ccccc5n4)ccc32)cc(-c2nn[nH]n2)c1.c1ccc2nc(COc3ccc(Cc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1
InChIInChI=1S/C26H20N6O.C26H23N5O.2C24H19N5O.4CH4/c1-2-7-24-19(5-1)8-9-22(27-24)17-33-23-10-11-25-20(15-23)12-13-32(25)16-18-4-3-6-21(14-18)26-28-30-31-29-26;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;1-2-7-23-19(5-1)10-11-21(25-23)16-30-22-12-8-17(9-13-22)14-18-4-3-6-20(15-18)24-26-28-29-27-24;1-2-4-23-19(3-1)11-12-21(25-23)16-30-22-13-7-18(8-14-22)15-17-5-9-20(10-6-17)24-26-28-29-27-24;;;;/h1-15H,16-17H2,(H,28,29,30,31);2-13,15-16,18H,14,17H2,1H3,(H,28,29,30,31);1-13,15H,14,16H2,(H,26,27,28,29);1-14H,15-16H2,(H,26,27,28,29);4*1H4
InChIKeyVSZZAEDGULABKR-UHFFFAOYSA-N
MW1705.06 g/mol
LogP22.05
Rot. Bonds25

About methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline

methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline (PubChem CID 161391217) has the molecular formula C104H97N21O4 and a molecular weight of 1705.06 g/mol. Its IUPAC name is methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Namemethane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline
PubChem CID161391217
Molecular FormulaC104H97N21O4
Molecular Weight1705.06 g/mol
Exact Mass1703.80
IUPAC Namemethane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline
SMILESC.C.C.C.CC(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(-c2nn[nH]n2)c1.c1cc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2nn[nH]n2)c1.c1cc(Cn2ccc3cc(OCc4ccc5ccccc5n4)ccc32)cc(-c2nn[nH]n2)c1.c1ccc2nc(COc3ccc(Cc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1
InChIInChI=1S/C26H20N6O.C26H23N5O.2C24H19N5O.4CH4/c1-2-7-24-19(5-1)8-9-22(27-24)17-33-23-10-11-25-20(15-23)12-13-32(25)16-18-4-3-6-21(14-18)26-28-30-31-29-26;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;1-2-7-23-19(5-1)10-11-21(25-23)16-30-22-12-8-17(9-13-22)14-18-4-3-6-20(15-18)24-26-28-29-27-24;1-2-4-23-19(3-1)11-12-21(25-23)16-30-22-13-7-18(8-14-22)15-17-5-9-20(10-6-17)24-26-28-29-27-24;;;;/h1-15H,16-17H2,(H,28,29,30,31);2-13,15-16,18H,14,17H2,1H3,(H,28,29,30,31);1-13,15H,14,16H2,(H,26,27,28,29);1-14H,15-16H2,(H,26,27,28,29);4*1H4
InChIKeyVSZZAEDGULABKR-UHFFFAOYSA-N
XLogP22.05
TPSA311.25 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001705.06
LogP ≤ 522.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline?
The IUPAC name of methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline (CID 161391217) is methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline.
What is the SMILES notation for methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline?
The canonical SMILES for methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline is C.C.C.C.CC(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(-c2nn[nH]n2)c1.c1cc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2nn[nH]n2)c1.c1cc(Cn2ccc3cc(OCc4ccc5ccccc5n4)ccc32)cc(-c2nn[nH]n2)c1.c1ccc2nc(COc3ccc(Cc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1.
What is the InChIKey of methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline?
The InChIKey is VSZZAEDGULABKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O.C26H23N5O.2C24H19N5O.4CH4/c1-2-7-24-19(5-1)8-9-22(27-24)17-33-23-10-11-25-20(15-23)12-13-32(25)16-18-4-3-6-21(14-18)26-28-30-31-29-26;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;1-2-7-23-19(5-1)10-11-21(25-23)16-30-22-12-8-17(9-13-22)14-18-4-3-6-20(15-18)24-26-28-29-27-24;1-2-4-23-19(3-1)11-12-21(25-23)16-30-22-13-7-18(8-14-22)15-17-5-9-20(10-6-17)24-26-28-29-27-24;;;;/h1-15H,16-17H2,(H,28,29,30,31);2-13,15-16,18H,14,17H2,1H3,(H,28,29,30,31);1-13,15H,14,16H2,(H,26,27,28,29);1-14H,15-16H2,(H,26,27,28,29);4*1H4.
What are the key properties of methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline?
methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline has a molecular weight of 1705.06 g/mol, XLogP of 22.05, 25 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 161391217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).