7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one

C24H26F2N4O — CID 162606770

About 7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one

7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 162606770) has the molecular formula C24H26F2N4O and a molecular weight of 424.50 g/mol. Its IUPAC name is 7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
• PubChem CID: 162606770
• Molecular Formula: C24H26F2N4O
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.21
• IUPAC Name: 7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
• SMILES: C/N=C/C(=CN)c1cc2c(cc1C(F)F)N(c1ccc3c(c1)N(C)C(=O)CC3)CCC2
• InChI: InChI=1S/C24H26F2N4O/c1-28-14-17(13-27)19-10-16-4-3-9-30(22(16)12-20(19)24(25)26)18-7-5-15-6-8-23(31)29(2)21(15)11-18/h5,7,10-14,24H,3-4,6,8-9,27H2,1-2H3/b17-13?,28-14+
• InChIKey: WTAPSZRGNJRHNT-YVOCGPRQSA-N
• XLogP: 4.62
• TPSA: 61.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one?

The IUPAC name of 7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one (CID 162606770) is 7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one?

The canonical SMILES for 7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one is C/N=C/C(=CN)c1cc2c(cc1C(F)F)N(c1ccc3c(c1)N(C)C(=O)CC3)CCC2.

What is the InChIKey of 7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one?

The InChIKey is WTAPSZRGNJRHNT-YVOCGPRQSA-N. The full InChI is InChI=1S/C24H26F2N4O/c1-28-14-17(13-27)19-10-16-4-3-9-30(22(16)12-20(19)24(25)26)18-7-5-15-6-8-23(31)29(2)21(15)11-18/h5,7,10-14,24H,3-4,6,8-9,27H2,1-2H3/b17-13?,28-14+.

What are the key properties of 7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one?

7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 424.50 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 162606770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).