3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C30H36N4O5 — CID 42406671

About 3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 42406671) has the molecular formula C30H36N4O5 and a molecular weight of 532.64 g/mol. Its IUPAC name is 3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
• PubChem CID: 42406671
• Molecular Formula: C30H36N4O5
• Molecular Weight: 532.64 g/mol
• Exact Mass: 532.27
• IUPAC Name: 3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
• SMILES: COc1cccc(C(=O)N(CCCN2CCCC2=O)Cc2cc3ccc(OC)cc3nc2N2CCOCC2)c1
• InChI: InChI=1S/C30H36N4O5/c1-37-25-7-3-6-23(19-25)30(36)34(13-5-12-32-11-4-8-28(32)35)21-24-18-22-9-10-26(38-2)20-27(22)31-29(24)33-14-16-39-17-15-33/h3,6-7,9-10,18-20H,4-5,8,11-17,21H2,1-2H3
• InChIKey: CVXVOSSBLXWLTA-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 84.44 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.64
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?

The IUPAC name of 3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 42406671) is 3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

What is the SMILES notation for 3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?

The canonical SMILES for 3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is COc1cccc(C(=O)N(CCCN2CCCC2=O)Cc2cc3ccc(OC)cc3nc2N2CCOCC2)c1.

What is the InChIKey of 3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?

The InChIKey is CVXVOSSBLXWLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O5/c1-37-25-7-3-6-23(19-25)30(36)34(13-5-12-32-11-4-8-28(32)35)21-24-18-22-9-10-26(38-2)20-27(22)31-29(24)33-14-16-39-17-15-33/h3,6-7,9-10,18-20H,4-5,8,11-17,21H2,1-2H3.

What are the key properties of 3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?

3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 532.64 g/mol, XLogP of 3.74, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 42406671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).