6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline

C28H30ClN3O6 — CID 18805091

About 6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline

6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline (PubChem CID 18805091) has the molecular formula C28H30ClN3O6 and a molecular weight of 540.02 g/mol. Its IUPAC name is 6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline.

Molecular Properties

• Compound Name: 6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline
• PubChem CID: 18805091
• Molecular Formula: C28H30ClN3O6
• Molecular Weight: 540.02 g/mol
• Exact Mass: 539.18
• IUPAC Name: 6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline
• SMILES: CC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCCn2c3ccc(Cl)cc3c3nc4ccccc4nc32)O1
• InChI: InChI=1S/C28H30ClN3O6/c1-27(2)34-14-20(36-27)22-23(24-26(35-22)38-28(3,4)37-24)33-12-11-32-19-10-9-15(29)13-16(19)21-25(32)31-18-8-6-5-7-17(18)30-21/h5-10,13,20,22-24,26H,11-12,14H2,1-4H3/t20?,22-,23+,24-,26-/m1/s1
• InChIKey: YHAWPUSDTXMYSN-HDIWWQCMSA-N
• XLogP: 4.80
• TPSA: 86.09 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.02
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline?

The IUPAC name of 6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline (CID 18805091) is 6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline.

What is the SMILES notation for 6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline?

The canonical SMILES for 6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline is CC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCCn2c3ccc(Cl)cc3c3nc4ccccc4nc32)O1.

What is the InChIKey of 6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline?

The InChIKey is YHAWPUSDTXMYSN-HDIWWQCMSA-N. The full InChI is InChI=1S/C28H30ClN3O6/c1-27(2)34-14-20(36-27)22-23(24-26(35-22)38-28(3,4)37-24)33-12-11-32-19-10-9-15(29)13-16(19)21-25(32)31-18-8-6-5-7-17(18)30-21/h5-10,13,20,22-24,26H,11-12,14H2,1-4H3/t20?,22-,23+,24-,26-/m1/s1.

What are the key properties of 6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline?

6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline has a molecular weight of 540.02 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]-9-chloroindolo[3,2-b]quinoxaline is sourced from PubChem (CID 18805091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).