carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline

C37H32FN3O4 — CID 158514521

About carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline

carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline (PubChem CID 158514521) has the molecular formula C37H32FN3O4 and a molecular weight of 601.68 g/mol. Its IUPAC name is carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline.

Molecular Properties

• Compound Name: carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline
• PubChem CID: 158514521
• Molecular Formula: C37H32FN3O4
• Molecular Weight: 601.68 g/mol
• Exact Mass: 601.24
• IUPAC Name: carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline
• SMILES: COc1ccc(-c2ccc(CC3C([C@@H]4CC4(C)C)=Nc4cc(OCc5ccc6ccccc6n5)ccc43)c(F)c2)cn1.O=C=O
• InChI: InChI=1S/C36H32FN3O2.CO2/c1-36(2)19-30(36)35-29(16-24-9-8-23(17-31(24)37)25-11-15-34(41-3)38-20-25)28-14-13-27(18-33(28)40-35)42-21-26-12-10-22-6-4-5-7-32(22)39-26;2-1-3/h4-15,17-18,20,29-30H,16,19,21H2,1-3H3;/t29?,30-;/m0./s1
• InChIKey: HLLULALXTAKDLI-ZPVDLMNKSA-N
• XLogP: 7.90
• TPSA: 90.74 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.68
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline?

The IUPAC name of carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline (CID 158514521) is carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline.

What is the SMILES notation for carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline?

The canonical SMILES for carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline is COc1ccc(-c2ccc(CC3C([C@@H]4CC4(C)C)=Nc4cc(OCc5ccc6ccccc6n5)ccc43)c(F)c2)cn1.O=C=O.

What is the InChIKey of carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline?

The InChIKey is HLLULALXTAKDLI-ZPVDLMNKSA-N. The full InChI is InChI=1S/C36H32FN3O2.CO2/c1-36(2)19-30(36)35-29(16-24-9-8-23(17-31(24)37)25-11-15-34(41-3)38-20-25)28-14-13-27(18-33(28)40-35)42-21-26-12-10-22-6-4-5-7-32(22)39-26;2-1-3/h4-15,17-18,20,29-30H,16,19,21H2,1-3H3;/t29?,30-;/m0./s1.

What are the key properties of carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline?

carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline has a molecular weight of 601.68 g/mol, XLogP of 7.90, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;2-[[2-[(1R)-2,2-dimethylcyclopropyl]-3-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]-3H-indol-6-yl]oxymethyl]quinoline is sourced from PubChem (CID 158514521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).