[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine

C21H17F4N3O3 — CID 175092865

About [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine

[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine (PubChem CID 175092865) has the molecular formula C21H17F4N3O3 and a molecular weight of 435.38 g/mol. Its IUPAC name is [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine.

Molecular Properties

• Compound Name: [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine
• PubChem CID: 175092865
• Molecular Formula: C21H17F4N3O3
• Molecular Weight: 435.38 g/mol
• Exact Mass: 435.12
• IUPAC Name: [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine
• SMILES: COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)c(C(F)(F)F)cnc2cc1OCN
• InChI: InChI=1S/C21H17F4N3O3/c1-10-5-11-14(28-10)3-4-16(19(11)22)31-20-12-6-17(29-2)18(30-9-26)7-15(12)27-8-13(20)21(23,24)25/h3-8,28H,9,26H2,1-2H3
• InChIKey: GBPBLZAKFBXOCD-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 82.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.38
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine?

The IUPAC name of [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine (CID 175092865) is [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine.

What is the SMILES notation for [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine?

The canonical SMILES for [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine is COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)c(C(F)(F)F)cnc2cc1OCN.

What is the InChIKey of [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine?

The InChIKey is GBPBLZAKFBXOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N3O3/c1-10-5-11-14(28-10)3-4-16(19(11)22)31-20-12-6-17(29-2)18(30-9-26)7-15(12)27-8-13(20)21(23,24)25/h3-8,28H,9,26H2,1-2H3.

What are the key properties of [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine?

[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine has a molecular weight of 435.38 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-3-(trifluoromethyl)quinolin-7-yl]oxymethanamine is sourced from PubChem (CID 175092865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).