N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

C25H22ClIN2O2 — CID 76613782

About N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (PubChem CID 76613782) has the molecular formula C25H22ClIN2O2 and a molecular weight of 544.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
• PubChem CID: 76613782
• Molecular Formula: C25H22ClIN2O2
• Molecular Weight: 544.82 g/mol
• Exact Mass: 544.04
• IUPAC Name: N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
• SMILES: CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(I)cc2)c2ccccc21
• InChI: InChI=1S/C25H22ClIN2O2/c1-16-15-24(29(17(2)30)21-13-9-19(26)10-14-21)22-5-3-4-6-23(22)28(16)25(31)18-7-11-20(27)12-8-18/h3-14,16,24H,15H2,1-2H3
• InChIKey: XVRUYKMGNKYERU-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.82
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?

The IUPAC name of N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (CID 76613782) is N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.

What is the SMILES notation for N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?

The canonical SMILES for N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(I)cc2)c2ccccc21.

What is the InChIKey of N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?

The InChIKey is XVRUYKMGNKYERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClIN2O2/c1-16-15-24(29(17(2)30)21-13-9-19(26)10-14-21)22-5-3-4-6-23(22)28(16)25(31)18-7-11-20(27)12-8-18/h3-14,16,24H,15H2,1-2H3.

What are the key properties of N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?

N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide has a molecular weight of 544.82 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is sourced from PubChem (CID 76613782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).