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

C24H32N6O3 — CID 165028867

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

methyl (7S)-7-methyl-3-[2-[methyl(propyl)amino]-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 165028867) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is methyl (7S)-7-methyl-3-[2-[methyl(propyl)amino]-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

• Compound Name: methyl (7S)-7-methyl-3-[2-[methyl(propyl)amino]-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• PubChem CID: 165028867
• Molecular Formula: C24H32N6O3
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.25
• IUPAC Name: methyl (7S)-7-methyl-3-[2-[methyl(propyl)amino]-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• SMILES: CCCN(C)C(=O)Cn1c(CCn2cccn2)nc2c3c(ccc21)N(C(=O)OC)[C@@H](C)CC3
• InChI: InChI=1S/C24H32N6O3/c1-5-13-27(3)22(31)16-29-20-10-9-19-18(8-7-17(2)30(19)24(32)33-4)23(20)26-21(29)11-15-28-14-6-12-25-28/h6,9-10,12,14,17H,5,7-8,11,13,15-16H2,1-4H3/t17-/m0/s1
• InChIKey: NISRGYWINFYXPI-KRWDZBQOSA-N
• XLogP: 3.25
• TPSA: 85.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl (7S)-7-methyl-3-[2-[methyl(propyl)amino]-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 165028867) is methyl (7S)-7-methyl-3-[2-[methyl(propyl)amino]-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

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

The canonical SMILES for methyl (7S)-7-methyl-3-[2-[methyl(propyl)amino]-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is CCCN(C)C(=O)Cn1c(CCn2cccn2)nc2c3c(ccc21)N(C(=O)OC)[C@@H](C)CC3.

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

The InChIKey is NISRGYWINFYXPI-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-5-13-27(3)22(31)16-29-20-10-9-19-18(8-7-17(2)30(19)24(32)33-4)23(20)26-21(29)11-15-28-14-6-12-25-28/h6,9-10,12,14,17H,5,7-8,11,13,15-16H2,1-4H3/t17-/m0/s1.

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

methyl (7S)-7-methyl-3-[2-[methyl(propyl)amino]-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 452.56 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (7S)-7-methyl-3-[2-[methyl(propyl)amino]-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 165028867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).