methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

C25H30N4O3 — CID 174213434

About methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 174213434) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

• Compound Name: methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• PubChem CID: 174213434
• Molecular Formula: C25H30N4O3
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• SMILES: COC(=O)N1c2ccc3c(nc(Cn4ccccc4=O)n3C3CCCCC3)c2CC[C@@H]1C
• InChI: InChI=1S/C25H30N4O3/c1-17-11-12-19-20(28(17)25(31)32-2)13-14-21-24(19)26-22(16-27-15-7-6-10-23(27)30)29(21)18-8-4-3-5-9-18/h6-7,10,13-15,17-18H,3-5,8-9,11-12,16H2,1-2H3/t17-/m0/s1
• InChIKey: QIAYBTBULYPNBN-KRWDZBQOSA-N
• XLogP: 4.66
• TPSA: 69.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The IUPAC name of methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 174213434) is methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

What is the SMILES notation for methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The canonical SMILES for methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is COC(=O)N1c2ccc3c(nc(Cn4ccccc4=O)n3C3CCCCC3)c2CC[C@@H]1C.

What is the InChIKey of methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The InChIKey is QIAYBTBULYPNBN-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17-11-12-19-20(28(17)25(31)32-2)13-14-21-24(19)26-22(16-27-15-7-6-10-23(27)30)29(21)18-8-4-3-5-9-18/h6-7,10,13-15,17-18H,3-5,8-9,11-12,16H2,1-2H3/t17-/m0/s1.

What are the key properties of methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 434.54 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 174213434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).