1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride

C22H24ClN3O2 — CID 118660093

About 1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride

1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride (PubChem CID 118660093) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride.

Molecular Properties

• Compound Name: 1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride
• PubChem CID: 118660093
• Molecular Formula: C22H24ClN3O2
• Molecular Weight: 397.91 g/mol
• Exact Mass: 397.16
• IUPAC Name: 1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride
• SMILES: CC(=O)N1c2ccc(C(=O)Cl)cc2C(Nc2cccc(C)n2)C(C)C1C1CC1
• InChI: InChI=1S/C22H24ClN3O2/c1-12-5-4-6-19(24-12)25-20-13(2)21(15-7-8-15)26(14(3)27)18-10-9-16(22(23)28)11-17(18)20/h4-6,9-11,13,15,20-21H,7-8H2,1-3H3,(H,24,25)
• InChIKey: XPNMZMPFBHNSPV-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.91
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride?

The IUPAC name of 1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride (CID 118660093) is 1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride.

What is the SMILES notation for 1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride?

The canonical SMILES for 1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride is CC(=O)N1c2ccc(C(=O)Cl)cc2C(Nc2cccc(C)n2)C(C)C1C1CC1.

What is the InChIKey of 1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride?

The InChIKey is XPNMZMPFBHNSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-12-5-4-6-19(24-12)25-20-13(2)21(15-7-8-15)26(14(3)27)18-10-9-16(22(23)28)11-17(18)20/h4-6,9-11,13,15,20-21H,7-8H2,1-3H3,(H,24,25).

What are the key properties of 1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride?

1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride has a molecular weight of 397.91 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carbonyl chloride is sourced from PubChem (CID 118660093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).