N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide

C23H20Cl2N2O3 — CID 23887252

About N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide

N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide (PubChem CID 23887252) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide
• PubChem CID: 23887252
• Molecular Formula: C23H20Cl2N2O3
• Molecular Weight: 443.33 g/mol
• Exact Mass: 442.09
• IUPAC Name: N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(N2C(=O)CC(c3ccc(Cl)cc3Cl)C3=C2CCCC3=O)cc1
• InChI: InChI=1S/C23H20Cl2N2O3/c1-13(28)26-15-6-8-16(9-7-15)27-20-3-2-4-21(29)23(20)18(12-22(27)30)17-10-5-14(24)11-19(17)25/h5-11,18H,2-4,12H2,1H3,(H,26,28)
• InChIKey: PYAZJZBXYUEFMS-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.33
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide?

The IUPAC name of N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide (CID 23887252) is N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide.

What is the SMILES notation for N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide?

The canonical SMILES for N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)CC(c3ccc(Cl)cc3Cl)C3=C2CCCC3=O)cc1.

What is the InChIKey of N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide?

The InChIKey is PYAZJZBXYUEFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-13(28)26-15-6-8-16(9-7-15)27-20-3-2-4-21(29)23(20)18(12-22(27)30)17-10-5-14(24)11-19(17)25/h5-11,18H,2-4,12H2,1H3,(H,26,28).

What are the key properties of N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide?

N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide has a molecular weight of 443.33 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide is sourced from PubChem (CID 23887252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).