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;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate

C143H136Cl3F2N5O30 — CID 157263437

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;[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;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate (PubChem CID 157263437) has the molecular formula C143H136Cl3F2N5O30 and a molecular weight of 2549.02 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;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate.

Molecular Properties

• Compound Name: 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;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate
• PubChem CID: 157263437
• Molecular Formula: C143H136Cl3F2N5O30
• Molecular Weight: 2549.02 g/mol
• Exact Mass: 2545.83
• IUPAC Name: 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;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate
• SMILES: CCOC(=O)OC(C)Oc1c(-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(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
• InChI: InChI=1S/2C29H28ClNO6.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;1-17(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;5-14,17,32H,15-16H2,1-4H3;2*5-14,31H,4,15-16H2,1-3H3
• InChIKey: AXSNFYXVDLQYQC-UHFFFAOYSA-N
• XLogP: 34.97
• TPSA: 435.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 40
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2549.02
LogP ≤ 5	34.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

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;[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;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate (CID 157263437) 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;[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;[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;[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)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;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate?

The InChIKey is AXSNFYXVDLQYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H28ClNO6.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;1-17(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;5-14,17,32H,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;[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;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate has a molecular weight of 2549.02 g/mol, XLogP of 34.97, 40 rotatable bonds, 5 hydrogen bond donors, and 35 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;[6-fluoro-7-(hydroxymethyl)-2-methyl-3-[4-(4-methylphenoxy)phenyl]quinolin-4-yl]oxymethyl propan-2-yl carbonate is sourced from PubChem (CID 157263437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).