(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol

C64H68N6O7 — CID 158383507

About (2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol

(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 158383507) has the molecular formula C64H68N6O7 and a molecular weight of 1033.28 g/mol. Its IUPAC name is (2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

• Compound Name: (2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
• PubChem CID: 158383507
• Molecular Formula: C64H68N6O7
• Molecular Weight: 1033.28 g/mol
• Exact Mass: 1032.51
• IUPAC Name: (2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
• SMILES: Cc1cc2c(ccc3nc(C(C)C)cn32)c(-c2ccc3c4c(ccnc24)CCO3)c1[C@@H](CO)OC(C)(C)C.Cc1cc2c(ccc3nc(C(C)C)cn32)c(-c2ccc3c4c(ccnc24)CCO3)c1[C@H](OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C32H33N3O4.C32H35N3O3/c1-17(2)22-16-35-23-15-18(3)26(30(31(36)37)39-32(4,5)6)28(20(23)8-10-25(35)34-22)21-7-9-24-27-19(12-14-38-24)11-13-33-29(21)27;1-18(2)23-16-35-24-15-19(3)28(26(17-36)38-32(4,5)6)30(21(24)8-10-27(35)34-23)22-7-9-25-29-20(12-14-37-25)11-13-33-31(22)29/h7-11,13,15-17,30H,12,14H2,1-6H3,(H,36,37);7-11,13,15-16,18,26,36H,12,14,17H2,1-6H3/t30-;26-/m01/s1
• InChIKey: GWBYFPLGRZIZTR-USAKINAZSA-N
• XLogP: 13.93
• TPSA: 154.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1033.28
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?

The IUPAC name of (2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol (CID 158383507) is (2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol.

What is the SMILES notation for (2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?

The canonical SMILES for (2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol is Cc1cc2c(ccc3nc(C(C)C)cn32)c(-c2ccc3c4c(ccnc24)CCO3)c1[C@@H](CO)OC(C)(C)C.Cc1cc2c(ccc3nc(C(C)C)cn32)c(-c2ccc3c4c(ccnc24)CCO3)c1[C@H](OC(C)(C)C)C(=O)O.

What is the InChIKey of (2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?

The InChIKey is GWBYFPLGRZIZTR-USAKINAZSA-N. The full InChI is InChI=1S/C32H33N3O4.C32H35N3O3/c1-17(2)22-16-35-23-15-18(3)26(30(31(36)37)39-32(4,5)6)28(20(23)8-10-25(35)34-22)21-7-9-24-27-19(12-14-38-24)11-13-33-29(21)27;1-18(2)23-16-35-24-15-19(3)28(26(17-36)38-32(4,5)6)30(21(24)8-10-27(35)34-23)22-7-9-25-29-20(12-14-37-25)11-13-33-31(22)29/h7-11,13,15-17,30H,12,14H2,1-6H3,(H,36,37);7-11,13,15-16,18,26,36H,12,14,17H2,1-6H3/t30-;26-/m01/s1.

What are the key properties of (2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?

(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 1033.28 g/mol, XLogP of 13.93, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 158383507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).