methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

C25H35N7O3 — CID 138479193

About methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 138479193) has the molecular formula C25H35N7O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

• Compound Name: methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• PubChem CID: 138479193
• Molecular Formula: C25H35N7O3
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.28
• IUPAC Name: methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• SMILES: COC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CCN(C)CC(=O)N(C)C)c2CC[C@@H]1C
• InChI: InChI=1S/C25H35N7O3/c1-18-7-8-19-20(32(18)25(34)35-5)9-10-21-24(19)27-22(11-14-30-13-6-12-26-30)31(21)16-15-29(4)17-23(33)28(2)3/h6,9-10,12-13,18H,7-8,11,14-17H2,1-5H3/t18-/m0/s1
• InChIKey: IMADYVXSOJTDIN-SFHVURJKSA-N
• XLogP: 2.40
• TPSA: 88.73 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The IUPAC name of methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 138479193) is methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

What is the SMILES notation for methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The canonical SMILES for methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is COC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CCN(C)CC(=O)N(C)C)c2CC[C@@H]1C.

What is the InChIKey of methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The InChIKey is IMADYVXSOJTDIN-SFHVURJKSA-N. The full InChI is InChI=1S/C25H35N7O3/c1-18-7-8-19-20(32(18)25(34)35-5)9-10-21-24(19)27-22(11-14-30-13-6-12-26-30)31(21)16-15-29(4)17-23(33)28(2)3/h6,9-10,12-13,18H,7-8,11,14-17H2,1-5H3/t18-/m0/s1.

What are the key properties of methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 481.60 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 138479193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).