1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate

C172H161Cl3F6N6O37 — CID 161026537

IUPAC1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate
SMILESCCOC(=O)OC(C)Oc1c(-c2ccc(Oc3ccc(C)cc3)cc2)c(C)nc2cc(CO)c(Cl)cc12.CCOC(=O)OC(C)Oc1c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(C)nc2cc(CO)c(F)cc12.CCOC(=O)OCOc1c(-c2ccc(Oc3ccc(C)cc3)cc2)c(C)nc2cc(CO)c(Cl)cc12.CCOC(=O)OCOc1c(-c2ccc(Oc3ccc(C)cc3)cc2)c(C)nc2cc(CO)c(F)cc12.Cc1ccc(Oc2ccc(-c3c(C)nc4cc(CO)c(Cl)cc4c3OCOC(=O)OC(C)C)cc2)cc1.Cc1ccc(Oc2ccc(-c3c(C)nc4cc(CO)c(F)cc4c3OCOC(=O)OC(C)C)cc2)cc1
InChIInChI=1S/2C29H28ClNO6.C29H25F4NO7.C29H28FNO6.C28H26ClNO6.C28H26FNO6/c1-17(2)36-29(33)35-16-34-28-24-14-25(30)21(15-32)13-26(24)31-19(4)27(28)20-7-11-23(12-8-20)37-22-9-5-18(3)6-10-22;1-5-34-29(33)36-19(4)35-28-24-15-25(30)21(16-32)14-26(24)31-18(3)27(28)20-8-12-23(13-9-20)37-22-10-6-17(2)7-11-22;1-4-37-28(36)39-17(3)38-27-23-14-24(30)19(15-35)13-25(23)34-16(2)26(27)18-5-7-20(8-6-18)40-21-9-11-22(12-10-21)41-29(31,32)33;1-17(2)36-29(33)35-16-34-28-24-14-25(30)21(15-32)13-26(24)31-19(4)27(28)20-7-11-23(12-8-20)37-22-9-5-18(3)6-10-22;2*1-4-33-28(32)35-16-34-27-23-14-24(29)20(15-31)13-25(23)30-18(3)26(27)19-7-11-22(12-8-19)36-21-9-5-17(2)6-10-21/h5-14,17,32H,15-16H2,1-4H3;6-15,19,32H,5,16H2,1-4H3;5-14,17,35H,4,15H2,1-3H3;5-14,17,32H,15-16H2,1-4H3;2*5-14,31H,4,15-16H2,1-3H3
InChIKeyTZAYZDIMPWFEIC-UHFFFAOYSA-N
MW3124.53 g/mol
LogP42.40
Rot. Bonds49

About 1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate

1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate (PubChem CID 161026537) has the molecular formula C172H161Cl3F6N6O37 and a molecular weight of 3124.53 g/mol. Its IUPAC name is 1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate.

Molecular Properties

Compound Name1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate
PubChem CID161026537
Molecular FormulaC172H161Cl3F6N6O37
Molecular Weight3124.53 g/mol
Exact Mass3120.99
IUPAC Name1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate
SMILESCCOC(=O)OC(C)Oc1c(-c2ccc(Oc3ccc(C)cc3)cc2)c(C)nc2cc(CO)c(Cl)cc12.CCOC(=O)OC(C)Oc1c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(C)nc2cc(CO)c(F)cc12.CCOC(=O)OCOc1c(-c2ccc(Oc3ccc(C)cc3)cc2)c(C)nc2cc(CO)c(Cl)cc12.CCOC(=O)OCOc1c(-c2ccc(Oc3ccc(C)cc3)cc2)c(C)nc2cc(CO)c(F)cc12.Cc1ccc(Oc2ccc(-c3c(C)nc4cc(CO)c(Cl)cc4c3OCOC(=O)OC(C)C)cc2)cc1.Cc1ccc(Oc2ccc(-c3c(C)nc4cc(CO)c(F)cc4c3OCOC(=O)OC(C)C)cc2)cc1
InChIInChI=1S/2C29H28ClNO6.C29H25F4NO7.C29H28FNO6.C28H26ClNO6.C28H26FNO6/c1-17(2)36-29(33)35-16-34-28-24-14-25(30)21(15-32)13-26(24)31-19(4)27(28)20-7-11-23(12-8-20)37-22-9-5-18(3)6-10-22;1-5-34-29(33)36-19(4)35-28-24-15-25(30)21(16-32)14-26(24)31-18(3)27(28)20-8-12-23(13-9-20)37-22-10-6-17(2)7-11-22;1-4-37-28(36)39-17(3)38-27-23-14-24(30)19(15-35)13-25(23)34-16(2)26(27)18-5-7-20(8-6-18)40-21-9-11-22(12-10-21)41-29(31,32)33;1-17(2)36-29(33)35-16-34-28-24-14-25(30)21(15-32)13-26(24)31-19(4)27(28)20-7-11-23(12-8-20)37-22-9-5-18(3)6-10-22;2*1-4-33-28(32)35-16-34-27-23-14-24(29)20(15-31)13-25(23)30-18(3)26(27)19-7-11-22(12-8-19)36-21-9-5-17(2)6-10-21/h5-14,17,32H,15-16H2,1-4H3;6-15,19,32H,5,16H2,1-4H3;5-14,17,35H,4,15H2,1-3H3;5-14,17,32H,15-16H2,1-4H3;2*5-14,31H,4,15-16H2,1-3H3
InChIKeyTZAYZDIMPWFEIC-UHFFFAOYSA-N
XLogP42.40
TPSA531.89 Ų
H-Bond Donors6
H-Bond Acceptors43
Rotatable Bonds49
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003124.53
LogP ≤ 542.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate with MolForge

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Related Compounds

US10584098, Code ELQ-359
CID 126497857
US10584098, Code ELQ-374
CID 126497864
US10584098, Code ELQ-337
CID 126497870
US10584098, Code ELQ-354
CID 126497871
US10584098, Code ELQ-357
CID 126497872
US10584098, Code ELQ-336
CID 126497888
US10584098, Code ELQ-358
CID 126497894
US10584098, Code ELQ-373
CID 126497895
US10584098, Code ELQ-375
CID 126497896
[6-Chloro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate
CID 126497852
1-[6-Chloro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl ethyl carbonate
CID 126497861
[6-Chloro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxymethyl ethyl carbonate
CID 126497868

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate?
The IUPAC name of 1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate (CID 161026537) is 1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate.
What is the SMILES notation for 1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate?
The canonical SMILES for 1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate is CCOC(=O)OC(C)Oc1c(-c2ccc(Oc3ccc(C)cc3)cc2)c(C)nc2cc(CO)c(Cl)cc12.CCOC(=O)OC(C)Oc1c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(C)nc2cc(CO)c(F)cc12.CCOC(=O)OCOc1c(-c2ccc(Oc3ccc(C)cc3)cc2)c(C)nc2cc(CO)c(Cl)cc12.CCOC(=O)OCOc1c(-c2ccc(Oc3ccc(C)cc3)cc2)c(C)nc2cc(CO)c(F)cc12.Cc1ccc(Oc2ccc(-c3c(C)nc4cc(CO)c(Cl)cc4c3OCOC(=O)OC(C)C)cc2)cc1.Cc1ccc(Oc2ccc(-c3c(C)nc4cc(CO)c(F)cc4c3OCOC(=O)OC(C)C)cc2)cc1.
What is the InChIKey of 1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate?
The InChIKey is TZAYZDIMPWFEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H28ClNO6.C29H25F4NO7.C29H28FNO6.C28H26ClNO6.C28H26FNO6/c1-17(2)36-29(33)35-16-34-28-24-14-25(30)21(15-32)13-26(24)31-19(4)27(28)20-7-11-23(12-8-20)37-22-9-5-18(3)6-10-22;1-5-34-29(33)36-19(4)35-28-24-15-25(30)21(16-32)14-26(24)31-18(3)27(28)20-8-12-23(13-9-20)37-22-10-6-17(2)7-11-22;1-4-37-28(36)39-17(3)38-27-23-14-24(30)19(15-35)13-25(23)34-16(2)26(27)18-5-7-20(8-6-18)40-21-9-11-22(12-10-21)41-29(31,32)33;1-17(2)36-29(33)35-16-34-28-24-14-25(30)21(15-32)13-26(24)31-19(4)27(28)20-7-11-23(12-8-20)37-22-9-5-18(3)6-10-22;2*1-4-33-28(32)35-16-34-27-23-14-24(29)20(15-31)13-25(23)30-18(3)26(27)19-7-11-22(12-8-19)36-21-9-5-17(2)6-10-21/h5-14,17,32H,15-16H2,1-4H3;6-15,19,32H,5,16H2,1-4H3;5-14,17,35H,4,15H2,1-3H3;5-14,17,32H,15-16H2,1-4H3;2*5-14,31H,4,15-16H2,1-3H3.
What are the key properties of 1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate?
1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate has a molecular weight of 3124.53 g/mol, XLogP of 42.40, 49 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxyethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl ethyl carbonate;[6-chloro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate;ethyl [6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl carbonate;ethyl 1-[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinolin-4-yl]oxyethyl carbonate;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate is sourced from PubChem (CID 161026537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).