2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide

C29H29N5O2 — CID 175879060

About 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide

2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide (PubChem CID 175879060) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide
• PubChem CID: 175879060
• Molecular Formula: C29H29N5O2
• Molecular Weight: 479.58 g/mol
• Exact Mass: 479.23
• IUPAC Name: 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide
• SMILES: Cc1ccc(OCC2CCN2C)cc1C(=O)NC1(c2cc(-c3ncccn3)cc3ncccc23)CC1
• InChI: InChI=1S/C29H29N5O2/c1-19-6-7-22(36-18-21-8-14-34(21)2)17-24(19)28(35)33-29(9-10-29)25-15-20(27-31-12-4-13-32-27)16-26-23(25)5-3-11-30-26/h3-7,11-13,15-17,21H,8-10,14,18H2,1-2H3,(H,33,35)
• InChIKey: WCJDKYOSZUFANC-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.58
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide?

The IUPAC name of 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide (CID 175879060) is 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide.

What is the SMILES notation for 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide?

The canonical SMILES for 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide is Cc1ccc(OCC2CCN2C)cc1C(=O)NC1(c2cc(-c3ncccn3)cc3ncccc23)CC1.

What is the InChIKey of 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide?

The InChIKey is WCJDKYOSZUFANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-19-6-7-22(36-18-21-8-14-34(21)2)17-24(19)28(35)33-29(9-10-29)25-15-20(27-31-12-4-13-32-27)16-26-23(25)5-3-11-30-26/h3-7,11-13,15-17,21H,8-10,14,18H2,1-2H3,(H,33,35).

What are the key properties of 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide?

2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide has a molecular weight of 479.58 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-pyrimidin-2-ylquinolin-5-yl)cyclopropyl]benzamide is sourced from PubChem (CID 175879060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).