2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide

C27H33N5O5 — CID 118695003

About 2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide

2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 118695003) has the molecular formula C27H33N5O5 and a molecular weight of 507.59 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 118695003
• Molecular Formula: C27H33N5O5
• Molecular Weight: 507.59 g/mol
• Exact Mass: 507.25
• IUPAC Name: 2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide
• SMILES: COCC1CN(c2ncc(CN3CCOCC3)cc2C(=O)Nc2ccc3[nH]c(=O)cc(C)c3c2)CCO1
• InChI: InChI=1S/C27H33N5O5/c1-18-11-25(33)30-24-4-3-20(13-22(18)24)29-27(34)23-12-19(15-31-5-8-36-9-6-31)14-28-26(23)32-7-10-37-21(16-32)17-35-2/h3-4,11-14,21H,5-10,15-17H2,1-2H3,(H,29,34)(H,30,33)
• InChIKey: REKVZBMQNFOTQM-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 109.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.59
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of 2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide (CID 118695003) is 2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide.

What is the SMILES notation for 2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide?

The canonical SMILES for 2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide is COCC1CN(c2ncc(CN3CCOCC3)cc2C(=O)Nc2ccc3[nH]c(=O)cc(C)c3c2)CCO1.

What is the InChIKey of 2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide?

The InChIKey is REKVZBMQNFOTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O5/c1-18-11-25(33)30-24-4-3-20(13-22(18)24)29-27(34)23-12-19(15-31-5-8-36-9-6-31)14-28-26(23)32-7-10-37-21(16-32)17-35-2/h3-4,11-14,21H,5-10,15-17H2,1-2H3,(H,29,34)(H,30,33).

What are the key properties of 2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide?

2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(methoxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118695003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).