2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

C28H28FN3O3 — CID 42719145

About 2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (PubChem CID 42719145) has the molecular formula C28H28FN3O3 and a molecular weight of 473.55 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
• PubChem CID: 42719145
• Molecular Formula: C28H28FN3O3
• Molecular Weight: 473.55 g/mol
• Exact Mass: 473.21
• IUPAC Name: 2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
• SMILES: CCC(c1nc2ccccc2c(=O)n1-c1cccc(C)c1)N(CCOC)C(=O)c1ccccc1F
• InChI: InChI=1S/C28H28FN3O3/c1-4-25(31(16-17-35-3)27(33)21-12-5-7-14-23(21)29)26-30-24-15-8-6-13-22(24)28(34)32(26)20-11-9-10-19(2)18-20/h5-15,18,25H,4,16-17H2,1-3H3
• InChIKey: CRPIODLYTGWIJE-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 64.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.55
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (CID 42719145) is 2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is CCC(c1nc2ccccc2c(=O)n1-c1cccc(C)c1)N(CCOC)C(=O)c1ccccc1F.

What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

The InChIKey is CRPIODLYTGWIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O3/c1-4-25(31(16-17-35-3)27(33)21-12-5-7-14-23(21)29)26-30-24-15-8-6-13-22(24)28(34)32(26)20-11-9-10-19(2)18-20/h5-15,18,25H,4,16-17H2,1-3H3.

What are the key properties of 2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide has a molecular weight of 473.55 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is sourced from PubChem (CID 42719145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).