N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide

C32H45N3O4 — CID 45489032

About N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide

N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide (PubChem CID 45489032) has the molecular formula C32H45N3O4 and a molecular weight of 535.73 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide.

Molecular Properties

• Compound Name: N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide
• PubChem CID: 45489032
• Molecular Formula: C32H45N3O4
• Molecular Weight: 535.73 g/mol
• Exact Mass: 535.34
• IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide
• SMILES: CCCCC(CC)C(=O)N(CCCC(C)Nc1cc(OC)cc2cccnc12)Cc1ccc(OC)c(OC)c1
• InChI: InChI=1S/C32H45N3O4/c1-7-9-13-25(8-2)32(36)35(22-24-15-16-29(38-5)30(19-24)39-6)18-11-12-23(3)34-28-21-27(37-4)20-26-14-10-17-33-31(26)28/h10,14-17,19-21,23,25,34H,7-9,11-13,18,22H2,1-6H3
• InChIKey: KKGBYQWTQDTUHW-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 72.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.73
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide?

The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide (CID 45489032) is N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide.

What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide?

The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide is CCCCC(CC)C(=O)N(CCCC(C)Nc1cc(OC)cc2cccnc12)Cc1ccc(OC)c(OC)c1.

What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide?

The InChIKey is KKGBYQWTQDTUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N3O4/c1-7-9-13-25(8-2)32(36)35(22-24-15-16-29(38-5)30(19-24)39-6)18-11-12-23(3)34-28-21-27(37-4)20-26-14-10-17-33-31(26)28/h10,14-17,19-21,23,25,34H,7-9,11-13,18,22H2,1-6H3.

What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide?

N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide has a molecular weight of 535.73 g/mol, XLogP of 7.09, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide is sourced from PubChem (CID 45489032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).