(7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

C23H25N7O4 — CID 174208934

About (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

(7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (PubChem CID 174208934) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.

Molecular Properties

• Compound Name: (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
• PubChem CID: 174208934
• Molecular Formula: C23H25N7O4
• Molecular Weight: 463.50 g/mol
• Exact Mass: 463.20
• IUPAC Name: (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
• SMILES: C[C@H]1CCc2c(ccc3c2nc(CCn2cccn2)n3CC(=O)NCc2cnco2)N1C(=O)O
• InChI: InChI=1S/C23H25N7O4/c1-15-3-4-17-18(30(15)23(32)33)5-6-19-22(17)27-20(7-10-28-9-2-8-26-28)29(19)13-21(31)25-12-16-11-24-14-34-16/h2,5-6,8-9,11,14-15H,3-4,7,10,12-13H2,1H3,(H,25,31)(H,32,33)/t15-/m0/s1
• InChIKey: KENPBKWADLZPON-HNNXBMFYSA-N
• XLogP: 2.60
• TPSA: 131.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.50
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (CID 174208934) is (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.

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

The canonical SMILES for (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is C[C@H]1CCc2c(ccc3c2nc(CCn2cccn2)n3CC(=O)NCc2cnco2)N1C(=O)O.

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

The InChIKey is KENPBKWADLZPON-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25N7O4/c1-15-3-4-17-18(30(15)23(32)33)5-6-19-22(17)27-20(7-10-28-9-2-8-26-28)29(19)13-21(31)25-12-16-11-24-14-34-16/h2,5-6,8-9,11,14-15H,3-4,7,10,12-13H2,1H3,(H,25,31)(H,32,33)/t15-/m0/s1.

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

(7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid has a molecular weight of 463.50 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-7-methyl-3-[2-(1,3-oxazol-5-ylmethylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is sourced from PubChem (CID 174208934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).