2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate

C27H38N6O4 — CID 142546299

About 2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate

2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate (PubChem CID 142546299) has the molecular formula C27H38N6O4 and a molecular weight of 510.64 g/mol. Its IUPAC name is 2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate.

Molecular Properties

• Compound Name: 2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate
• PubChem CID: 142546299
• Molecular Formula: C27H38N6O4
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.30
• IUPAC Name: 2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate
• SMILES: CC1CCc2c(ccc3c2nc(CCn2cccn2)n3CC(=O)N2CCC(CO)CC2)N1C.COC=O
• InChI: InChI=1S/C25H34N6O2.C2H4O2/c1-18-4-5-20-21(28(18)2)6-7-22-25(20)27-23(10-15-30-12-3-11-26-30)31(22)16-24(33)29-13-8-19(17-32)9-14-29;1-4-2-3/h3,6-7,11-12,18-19,32H,4-5,8-10,13-17H2,1-2H3;2H,1H3
• InChIKey: WRIZXZLTAZROAO-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 105.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate?

The IUPAC name of 2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate (CID 142546299) is 2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate.

What is the SMILES notation for 2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate?

The canonical SMILES for 2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate is CC1CCc2c(ccc3c2nc(CCn2cccn2)n3CC(=O)N2CCC(CO)CC2)N1C.COC=O.

What is the InChIKey of 2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate?

The InChIKey is WRIZXZLTAZROAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2.C2H4O2/c1-18-4-5-20-21(28(18)2)6-7-22-25(20)27-23(10-15-30-12-3-11-26-30)31(22)16-24(33)29-13-8-19(17-32)9-14-29;1-4-2-3/h3,6-7,11-12,18-19,32H,4-5,8-10,13-17H2,1-2H3;2H,1H3.

What are the key properties of 2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate?

2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate has a molecular weight of 510.64 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;methyl formate is sourced from PubChem (CID 142546299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).