(7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

C21H23N3O2 — CID 138472476

About (7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

(7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (PubChem CID 138472476) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.

Molecular Properties

• Compound Name: (7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
• PubChem CID: 138472476
• Molecular Formula: C21H23N3O2
• Molecular Weight: 349.43 g/mol
• Exact Mass: 349.18
• IUPAC Name: (7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
• SMILES: C[C@H]1CCc2c(ccc3c2nc(CCc2ccccc2)n3C)N1C(=O)O
• InChI: InChI=1S/C21H23N3O2/c1-14-8-10-16-17(24(14)21(25)26)11-12-18-20(16)22-19(23(18)2)13-9-15-6-4-3-5-7-15/h3-7,11-12,14H,8-10,13H2,1-2H3,(H,25,26)/t14-/m0/s1
• InChIKey: FPMYAASTRKFDOZ-AWEZNQCLSA-N
• XLogP: 4.18
• TPSA: 58.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.43
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?

The IUPAC name of (7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (CID 138472476) is (7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.

What is the SMILES notation for (7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?

The canonical SMILES for (7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is C[C@H]1CCc2c(ccc3c2nc(CCc2ccccc2)n3C)N1C(=O)O.

What is the InChIKey of (7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?

The InChIKey is FPMYAASTRKFDOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-8-10-16-17(24(14)21(25)26)11-12-18-20(16)22-19(23(18)2)13-9-15-6-4-3-5-7-15/h3-7,11-12,14H,8-10,13H2,1-2H3,(H,25,26)/t14-/m0/s1.

What are the key properties of (7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?

(7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid has a molecular weight of 349.43 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-3,7-dimethyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is sourced from PubChem (CID 138472476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).