5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid

C28H38N4O5 — CID 155408434

About 5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid

5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid (PubChem CID 155408434) has the molecular formula C28H38N4O5 and a molecular weight of 510.64 g/mol. Its IUPAC name is 5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid.

Molecular Properties

• Compound Name: 5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid
• PubChem CID: 155408434
• Molecular Formula: C28H38N4O5
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.28
• IUPAC Name: 5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid
• SMILES: CC1CCc2c(ccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)CC4)[nH]3)c2OC2CCC2)N1C(=O)O
• InChI: InChI=1S/C28H38N4O5/c1-17-8-9-21-23(32(17)26(33)34)11-10-20(24(21)36-19-6-5-7-19)22-16-29-25(30-22)18-12-14-31(15-13-18)27(35)37-28(2,3)4/h10-11,16-19H,5-9,12-15H2,1-4H3,(H,29,30)(H,33,34)
• InChIKey: DQKJRNIYSOFNPD-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 107.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid?

The IUPAC name of 5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid (CID 155408434) is 5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid.

What is the SMILES notation for 5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid?

The canonical SMILES for 5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid is CC1CCc2c(ccc(-c3cnc(C4CCN(C(=O)OC(C)(C)C)CC4)[nH]3)c2OC2CCC2)N1C(=O)O.

What is the InChIKey of 5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid?

The InChIKey is DQKJRNIYSOFNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O5/c1-17-8-9-21-23(32(17)26(33)34)11-10-20(24(21)36-19-6-5-7-19)22-16-29-25(30-22)18-12-14-31(15-13-18)27(35)37-28(2,3)4/h10-11,16-19H,5-9,12-15H2,1-4H3,(H,29,30)(H,33,34).

What are the key properties of 5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid?

5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid has a molecular weight of 510.64 g/mol, XLogP of 5.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid is sourced from PubChem (CID 155408434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).