N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C25H23IN2O2 — CID 2306858

About N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 2306858) has the molecular formula C25H23IN2O2 and a molecular weight of 510.38 g/mol. Its IUPAC name is N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

• Compound Name: N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
• PubChem CID: 2306858
• Molecular Formula: C25H23IN2O2
• Molecular Weight: 510.38 g/mol
• Exact Mass: 510.08
• IUPAC Name: N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
• SMILES: CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2I)c2ccccc21
• InChI: InChI=1S/C25H23IN2O2/c1-17-16-24(28(18(2)29)19-10-4-3-5-11-19)21-13-7-9-15-23(21)27(17)25(30)20-12-6-8-14-22(20)26/h3-15,17,24H,16H2,1-2H3/t17-,24+/m1/s1
• InChIKey: YLDCAVBKIOXUQZ-OSPHWJPCSA-N
• XLogP: 5.82
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.38
LogP ≤ 5	5.82
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-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?

The IUPAC name of N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 2306858) is N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

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

The canonical SMILES for N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2I)c2ccccc21.

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

The InChIKey is YLDCAVBKIOXUQZ-OSPHWJPCSA-N. The full InChI is InChI=1S/C25H23IN2O2/c1-17-16-24(28(18(2)29)19-10-4-3-5-11-19)21-13-7-9-15-23(21)27(17)25(30)20-12-6-8-14-22(20)26/h3-15,17,24H,16H2,1-2H3/t17-,24+/m1/s1.

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

N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 510.38 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 2306858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).