N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

C23H22FN3O3 — CID 11567678

About N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 11567678) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

• Compound Name: N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
• PubChem CID: 11567678
• Molecular Formula: C23H22FN3O3
• Molecular Weight: 407.45 g/mol
• Exact Mass: 407.16
• IUPAC Name: N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
• SMILES: CCOc1ccc(NC(=O)c2cccc3c2OCCN3c2ccc(C)cn2)cc1F
• InChI: InChI=1S/C23H22FN3O3/c1-3-29-20-9-8-16(13-18(20)24)26-23(28)17-5-4-6-19-22(17)30-12-11-27(19)21-10-7-15(2)14-25-21/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,28)
• InChIKey: CPFGXNHYWZKYQF-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.45
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?

The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 11567678) is N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?

The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide is CCOc1ccc(NC(=O)c2cccc3c2OCCN3c2ccc(C)cn2)cc1F.

What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?

The InChIKey is CPFGXNHYWZKYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-3-29-20-9-8-16(13-18(20)24)26-23(28)17-5-4-6-19-22(17)30-12-11-27(19)21-10-7-15(2)14-25-21/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,28).

What are the key properties of N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?

N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxy-3-fluorophenyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 11567678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).