methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

C25H32N4O2 — CID 138479419

About methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 138479419) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• PubChem CID: 138479419
• Molecular Formula: C25H32N4O2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.25
• IUPAC Name: methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• SMILES: COC(=O)N1c2ccc3c(nc(CCc4ccccc4)n3CCN(C)C)c2CCC1C
• InChI: InChI=1S/C25H32N4O2/c1-18-10-12-20-21(29(18)25(30)31-4)13-14-22-24(20)26-23(28(22)17-16-27(2)3)15-11-19-8-6-5-7-9-19/h5-9,13-14,18H,10-12,15-17H2,1-4H3
• InChIKey: HXEAEVRJTKBNOL-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The IUPAC name of methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 138479419) is methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

What is the SMILES notation for methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The canonical SMILES for methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is COC(=O)N1c2ccc3c(nc(CCc4ccccc4)n3CCN(C)C)c2CCC1C.

What is the InChIKey of methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The InChIKey is HXEAEVRJTKBNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-18-10-12-20-21(29(18)25(30)31-4)13-14-22-24(20)26-23(28(22)17-16-27(2)3)15-11-19-8-6-5-7-9-19/h5-9,13-14,18H,10-12,15-17H2,1-4H3.

What are the key properties of methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 420.56 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[2-(dimethylamino)ethyl]-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 138479419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).