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

C29H35N3O6 — CID 45196925

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

2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 45196925) has the molecular formula C29H35N3O6 and a molecular weight of 521.61 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 45196925
• Molecular Formula: C29H35N3O6
• Molecular Weight: 521.61 g/mol
• Exact Mass: 521.25
• IUPAC Name: 2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
• SMILES: COc1ccc(C(=O)N(Cc2cc3ccc(OC)cc3nc2N2CCOCC2)CC2CCCO2)c(OC)c1
• InChI: InChI=1S/C29H35N3O6/c1-34-22-7-6-20-15-21(28(30-26(20)16-22)31-10-13-37-14-11-31)18-32(19-24-5-4-12-38-24)29(33)25-9-8-23(35-2)17-27(25)36-3/h6-9,15-17,24H,4-5,10-14,18-19H2,1-3H3
• InChIKey: JIOBYLUQXVPEPE-UHFFFAOYSA-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 2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?

The IUPAC name of 2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 45196925) is 2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

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

The canonical SMILES for 2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2cc3ccc(OC)cc3nc2N2CCOCC2)CC2CCCO2)c(OC)c1.

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

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

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

2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)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 2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 45196925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).