5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C24H18ClN3O5 — CID 55750849

About 5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 55750849) has the molecular formula C24H18ClN3O5 and a molecular weight of 463.88 g/mol. Its IUPAC name is 5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
• PubChem CID: 55750849
• Molecular Formula: C24H18ClN3O5
• Molecular Weight: 463.88 g/mol
• Exact Mass: 463.09
• IUPAC Name: 5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
• SMILES: O=C1CN(C(=O)c2ccc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)cc2)c2ccccc2N1
• InChI: InChI=1S/C24H18ClN3O5/c25-17-11-15(12-20-22(17)33-10-9-32-20)23(30)26-16-7-5-14(6-8-16)24(31)28-13-21(29)27-18-3-1-2-4-19(18)28/h1-8,11-12H,9-10,13H2,(H,26,30)(H,27,29)
• InChIKey: YMNWASSXHBQXDE-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.88
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?

The IUPAC name of 5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 55750849) is 5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?

The canonical SMILES for 5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is O=C1CN(C(=O)c2ccc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)cc2)c2ccccc2N1.

What is the InChIKey of 5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?

The InChIKey is YMNWASSXHBQXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O5/c25-17-11-15(12-20-22(17)33-10-9-32-20)23(30)26-16-7-5-14(6-8-16)24(31)28-13-21(29)27-18-3-1-2-4-19(18)28/h1-8,11-12H,9-10,13H2,(H,26,30)(H,27,29).

What are the key properties of 5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?

5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 463.88 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 55750849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).