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

C28H33N3O3 — CID 176600571

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

2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-propan-2-yloxyquinolin-5-yl)cyclopropyl]benzamide (PubChem CID 176600571) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-propan-2-yloxyquinolin-5-yl)cyclopropyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-propan-2-yloxyquinolin-5-yl)cyclopropyl]benzamide
• PubChem CID: 176600571
• Molecular Formula: C28H33N3O3
• Molecular Weight: 459.59 g/mol
• Exact Mass: 459.25
• IUPAC Name: 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-propan-2-yloxyquinolin-5-yl)cyclopropyl]benzamide
• SMILES: Cc1ccc(OCC2CCN2C)cc1C(=O)NC1(c2cc(OC(C)C)cc3ncccc23)CC1
• InChI: InChI=1S/C28H33N3O3/c1-18(2)34-22-15-25(23-6-5-12-29-26(23)16-22)28(10-11-28)30-27(32)24-14-21(8-7-19(24)3)33-17-20-9-13-31(20)4/h5-8,12,14-16,18,20H,9-11,13,17H2,1-4H3,(H,30,32)
• InChIKey: ZBYOCWZVHCKOAS-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.59
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-propan-2-yloxyquinolin-5-yl)cyclopropyl]benzamide (CID 176600571) is 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-propan-2-yloxyquinolin-5-yl)cyclopropyl]benzamide.

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

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

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

The InChIKey is ZBYOCWZVHCKOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-18(2)34-22-15-25(23-6-5-12-29-26(23)16-22)28(10-11-28)30-27(32)24-14-21(8-7-19(24)3)33-17-20-9-13-31(20)4/h5-8,12,14-16,18,20H,9-11,13,17H2,1-4H3,(H,30,32).

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

2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-propan-2-yloxyquinolin-5-yl)cyclopropyl]benzamide has a molecular weight of 459.59 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[(1-methylazetidin-2-yl)methoxy]-N-[1-(7-propan-2-yloxyquinolin-5-yl)cyclopropyl]benzamide is sourced from PubChem (CID 176600571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).