2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C24H19ClN4O4 — CID 53010690

About 2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 53010690) has the molecular formula C24H19ClN4O4 and a molecular weight of 462.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
• PubChem CID: 53010690
• Molecular Formula: C24H19ClN4O4
• Molecular Weight: 462.89 g/mol
• Exact Mass: 462.11
• IUPAC Name: 2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
• SMILES: O=C(CN1C(=O)CC(c2ccc(Cl)cc2)=Nc2cccnc21)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C24H19ClN4O4/c25-16-5-3-15(4-6-16)19-13-23(31)29(24-18(28-19)2-1-9-26-24)14-22(30)27-17-7-8-20-21(12-17)33-11-10-32-20/h1-9,12H,10-11,13-14H2,(H,27,30)
• InChIKey: FHZULWALIQGHCI-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 93.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.89
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The IUPAC name of 2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 53010690) is 2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The canonical SMILES for 2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(CN1C(=O)CC(c2ccc(Cl)cc2)=Nc2cccnc21)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of 2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The InChIKey is FHZULWALIQGHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O4/c25-16-5-3-15(4-6-16)19-13-23(31)29(24-18(28-19)2-1-9-26-24)14-22(30)27-17-7-8-20-21(12-17)33-11-10-32-20/h1-9,12H,10-11,13-14H2,(H,27,30).

What are the key properties of 2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 462.89 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 53010690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).