6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine

C30H40N4O3 — CID 129072666

About 6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine

6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine (PubChem CID 129072666) has the molecular formula C30H40N4O3 and a molecular weight of 504.68 g/mol. Its IUPAC name is 6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine.

Molecular Properties

• Compound Name: 6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine
• PubChem CID: 129072666
• Molecular Formula: C30H40N4O3
• Molecular Weight: 504.68 g/mol
• Exact Mass: 504.31
• IUPAC Name: 6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine
• SMILES: COc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OC1CC2(CCN(C)CC2)C1
• InChI: InChI=1S/C30H40N4O3/c1-20-5-6-27(36-20)26-16-24(31-21-7-11-33(2)12-8-21)23-15-28(35-4)29(17-25(23)32-26)37-22-18-30(19-22)9-13-34(3)14-10-30/h5-6,15-17,21-22H,7-14,18-19H2,1-4H3,(H,31,32)
• InChIKey: XKGBDGPFFINVLY-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 63.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.68
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine?

The IUPAC name of 6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine (CID 129072666) is 6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine.

What is the SMILES notation for 6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine?

The canonical SMILES for 6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine is COc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OC1CC2(CCN(C)CC2)C1.

What is the InChIKey of 6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine?

The InChIKey is XKGBDGPFFINVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O3/c1-20-5-6-27(36-20)26-16-24(31-21-7-11-33(2)12-8-21)23-15-28(35-4)29(17-25(23)32-26)37-22-18-30(19-22)9-13-34(3)14-10-30/h5-6,15-17,21-22H,7-14,18-19H2,1-4H3,(H,31,32).

What are the key properties of 6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine?

6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine has a molecular weight of 504.68 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)oxy]-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine is sourced from PubChem (CID 129072666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).