5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline

C108H117BrClN15O15 — CID 160566732

About 5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline

5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline (PubChem CID 160566732) has the molecular formula C108H117BrClN15O15 and a molecular weight of 1980.57 g/mol. Its IUPAC name is 5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline.

Molecular Properties

• Compound Name: 5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline
• PubChem CID: 160566732
• Molecular Formula: C108H117BrClN15O15
• Molecular Weight: 1980.57 g/mol
• Exact Mass: 1977.77
• IUPAC Name: 5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline
• SMILES: C.C.C.C.C.CCOC(=O)CCCOc1ccc(OCc2cc3ccccc3nc2Cl)cc1.COc1ccc2nc(COc3ccc(OCCCC4=NN=CC4)cc3)ccc2c1Br.O=C(O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1.c1cc(OCCCc2nn[nH]n2)cc(OCc2nccc3ccccc23)c1.c1cc(OCc2ccc3ccccc3n2)cc(OCc2nn[nH]n2)c1
• InChI: InChI=1S/C23H22BrN3O3.C22H22ClNO4.C20H19N5O2.C20H19NO4.C18H15N5O2.5CH4/c1-28-22-11-10-21-20(23(22)24)9-4-17(26-21)15-30-19-7-5-18(6-8-19)29-14-2-3-16-12-13-25-27-16;1-2-26-21(25)8-5-13-27-18-9-11-19(12-10-18)28-15-17-14-16-6-3-4-7-20(16)24-22(17)23;1-2-8-18-15(5-1)10-11-21-19(18)14-27-17-7-3-6-16(13-17)26-12-4-9-20-22-24-25-23-20;22-20(23)6-3-13-24-17-9-11-18(12-10-17)25-14-16-8-7-15-4-1-2-5-19(15)21-16;1-2-7-17-13(4-1)8-9-14(19-17)11-24-15-5-3-6-16(10-15)25-12-18-20-22-23-21-18;;;;;/h4-11,13H,2-3,12,14-15H2,1H3;3-4,6-7,9-12,14H,2,5,8,13,15H2,1H3;1-3,5-8,10-11,13H,4,9,12,14H2,(H,22,23,24,25);1-2,4-5,7-12H,3,6,13-14H2,(H,22,23);1-10H,11-12H2,(H,20,21,22,23);5*1H4
• InChIKey: RAABBYUNIXDPTN-UHFFFAOYSA-N
• XLogP: 24.25
• TPSA: 363.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 40
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1980.57
LogP ≤ 5	24.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline?

The IUPAC name of 5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline (CID 160566732) is 5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline.

What is the SMILES notation for 5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline?

The canonical SMILES for 5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline is C.C.C.C.C.CCOC(=O)CCCOc1ccc(OCc2cc3ccccc3nc2Cl)cc1.COc1ccc2nc(COc3ccc(OCCCC4=NN=CC4)cc3)ccc2c1Br.O=C(O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1.c1cc(OCCCc2nn[nH]n2)cc(OCc2nccc3ccccc23)c1.c1cc(OCc2ccc3ccccc3n2)cc(OCc2nn[nH]n2)c1.

What is the InChIKey of 5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline?

The InChIKey is RAABBYUNIXDPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O3.C22H22ClNO4.C20H19N5O2.C20H19NO4.C18H15N5O2.5CH4/c1-28-22-11-10-21-20(23(22)24)9-4-17(26-21)15-30-19-7-5-18(6-8-19)29-14-2-3-16-12-13-25-27-16;1-2-26-21(25)8-5-13-27-18-9-11-19(12-10-18)28-15-17-14-16-6-3-4-7-20(16)24-22(17)23;1-2-8-18-15(5-1)10-11-21-19(18)14-27-17-7-3-6-16(13-17)26-12-4-9-20-22-24-25-23-20;22-20(23)6-3-13-24-17-9-11-18(12-10-17)25-14-16-8-7-15-4-1-2-5-19(15)21-16;1-2-7-17-13(4-1)8-9-14(19-17)11-24-15-5-3-6-16(10-15)25-12-18-20-22-23-21-18;;;;;/h4-11,13H,2-3,12,14-15H2,1H3;3-4,6-7,9-12,14H,2,5,8,13,15H2,1H3;1-3,5-8,10-11,13H,4,9,12,14H2,(H,22,23,24,25);1-2,4-5,7-12H,3,6,13-14H2,(H,22,23);1-10H,11-12H2,(H,20,21,22,23);5*1H4.

What are the key properties of 5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline?

5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline has a molecular weight of 1980.57 g/mol, XLogP of 24.25, 40 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-methoxy-2-[[4-[3-(4H-pyrazol-3-yl)propoxy]phenoxy]methyl]quinoline;ethyl 4-[4-[(2-chloroquinolin-3-yl)methoxy]phenoxy]butanoate;methane;4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid;2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline;1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline is sourced from PubChem (CID 160566732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).