N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine

C103H127F3N12O14 — CID 158560820

About N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine

N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine (PubChem CID 158560820) has the molecular formula C103H127F3N12O14 and a molecular weight of 1814.21 g/mol. Its IUPAC name is N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine.

Molecular Properties

• Compound Name: N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine
• PubChem CID: 158560820
• Molecular Formula: C103H127F3N12O14
• Molecular Weight: 1814.21 g/mol
• Exact Mass: 1812.95
• IUPAC Name: N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine
• SMILES: COCCNc1cc(-c2ccc(C)o2)nc2cc(OCCCN3CCCC3)c(OC)cc12.COc1cc2c(NCCC(F)(F)F)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCCO)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCc3ccccc3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1
• InChI: InChI=1S/C29H33N3O3.C25H30F3N3O3.C25H33N3O4.C24H31N3O4/c1-21-11-12-27(35-21)26-18-24(30-20-22-9-4-3-5-10-22)23-17-28(33-2)29(19-25(23)31-26)34-16-8-15-32-13-6-7-14-32;1-17-6-7-22(34-17)21-15-19(29-9-8-25(26,27)28)18-14-23(32-2)24(16-20(18)30-21)33-13-5-12-31-10-3-4-11-31;1-18-7-8-23(32-18)22-16-20(26-9-14-29-2)19-15-24(30-3)25(17-21(19)27-22)31-13-6-12-28-10-4-5-11-28;1-17-6-7-22(31-17)21-15-19(25-8-12-28)18-14-23(29-2)24(16-20(18)26-21)30-13-5-11-27-9-3-4-10-27/h3-5,9-12,17-19H,6-8,13-16,20H2,1-2H3,(H,30,31);6-7,14-16H,3-5,8-13H2,1-2H3,(H,29,30);7-8,15-17H,4-6,9-14H2,1-3H3,(H,26,27);6-7,14-16,28H,3-5,8-13H2,1-2H3,(H,25,26)
• InChIKey: HQWCNLLOEPTVCJ-UHFFFAOYSA-N
• XLogP: 21.14
• TPSA: 268.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 41
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1814.21
LogP ≤ 5	21.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine?

The IUPAC name of N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine (CID 158560820) is N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine.

What is the SMILES notation for N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine?

The canonical SMILES for N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine is COCCNc1cc(-c2ccc(C)o2)nc2cc(OCCCN3CCCC3)c(OC)cc12.COc1cc2c(NCCC(F)(F)F)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCCO)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCc3ccccc3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.

What is the InChIKey of N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine?

The InChIKey is HQWCNLLOEPTVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3.C25H30F3N3O3.C25H33N3O4.C24H31N3O4/c1-21-11-12-27(35-21)26-18-24(30-20-22-9-4-3-5-10-22)23-17-28(33-2)29(19-25(23)31-26)34-16-8-15-32-13-6-7-14-32;1-17-6-7-22(34-17)21-15-19(29-9-8-25(26,27)28)18-14-23(32-2)24(16-20(18)30-21)33-13-5-12-31-10-3-4-11-31;1-18-7-8-23(32-18)22-16-20(26-9-14-29-2)19-15-24(30-3)25(17-21(19)27-22)31-13-6-12-28-10-4-5-11-28;1-17-6-7-22(31-17)21-15-19(25-8-12-28)18-14-23(29-2)24(16-20(18)26-21)30-13-5-11-27-9-3-4-10-27/h3-5,9-12,17-19H,6-8,13-16,20H2,1-2H3,(H,30,31);6-7,14-16H,3-5,8-13H2,1-2H3,(H,29,30);7-8,15-17H,4-6,9-14H2,1-3H3,(H,26,27);6-7,14-16,28H,3-5,8-13H2,1-2H3,(H,25,26).

What are the key properties of N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine?

N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine has a molecular weight of 1814.21 g/mol, XLogP of 21.14, 41 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;2-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]ethanol;6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-N-(3,3,3-trifluoropropyl)quinolin-4-amine is sourced from PubChem (CID 158560820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).