3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C29H35N3O6 — CID 26398686

About 3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 26398686) has the molecular formula C29H35N3O6 and a molecular weight of 521.61 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
• PubChem CID: 26398686
• Molecular Formula: C29H35N3O6
• Molecular Weight: 521.61 g/mol
• Exact Mass: 521.25
• IUPAC Name: 3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
• SMILES: COc1cc(OC)cc(C(=O)N(Cc2cc3ccc(OC)cc3nc2N2CCOCC2)C[C@@H]2CCCO2)c1
• InChI: InChI=1S/C29H35N3O6/c1-34-23-7-6-20-13-22(28(30-27(20)17-23)31-8-11-37-12-9-31)18-32(19-24-5-4-10-38-24)29(33)21-14-25(35-2)16-26(15-21)36-3/h6-7,13-17,24H,4-5,8-12,18-19H2,1-3H3/t24-/m0/s1
• InChIKey: KFGSBZOYWQAVMY-DEOSSOPVSA-N
• XLogP: 3.92
• TPSA: 82.59 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.61
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?

The IUPAC name of 3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 26398686) is 3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

What is the SMILES notation for 3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?

The canonical SMILES for 3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is COc1cc(OC)cc(C(=O)N(Cc2cc3ccc(OC)cc3nc2N2CCOCC2)C[C@@H]2CCCO2)c1.

What is the InChIKey of 3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?

The InChIKey is KFGSBZOYWQAVMY-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H35N3O6/c1-34-23-7-6-20-13-22(28(30-27(20)17-23)31-8-11-37-12-9-31)18-32(19-24-5-4-10-38-24)29(33)21-14-25(35-2)16-26(15-21)36-3/h6-7,13-17,24H,4-5,8-12,18-19H2,1-3H3/t24-/m0/s1.

What are the key properties of 3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?

3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 521.61 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 26398686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).