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

C28H37N5O4 — CID 138479181

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

methyl (7S)-7-methyl-3-[2-[methyl(oxan-4-yl)amino]ethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 138479181) has the molecular formula C28H37N5O4 and a molecular weight of 507.64 g/mol. Its IUPAC name is methyl (7S)-7-methyl-3-[2-[methyl(oxan-4-yl)amino]ethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

• Compound Name: methyl (7S)-7-methyl-3-[2-[methyl(oxan-4-yl)amino]ethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• PubChem CID: 138479181
• Molecular Formula: C28H37N5O4
• Molecular Weight: 507.64 g/mol
• Exact Mass: 507.28
• IUPAC Name: methyl (7S)-7-methyl-3-[2-[methyl(oxan-4-yl)amino]ethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• SMILES: COC(=O)N1c2ccc3c(nc(CCn4ccccc4=O)n3CCN(C)C3CCOCC3)c2CC[C@@H]1C
• InChI: InChI=1S/C28H37N5O4/c1-20-7-8-22-23(33(20)28(35)36-3)9-10-24-27(22)29-25(11-15-31-14-5-4-6-26(31)34)32(24)17-16-30(2)21-12-18-37-19-13-21/h4-6,9-10,14,20-21H,7-8,11-13,15-19H2,1-3H3/t20-/m0/s1
• InChIKey: CHKFWSBFCQFRLG-FQEVSTJZSA-N
• XLogP: 3.46
• TPSA: 81.83 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.64
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of methyl (7S)-7-methyl-3-[2-[methyl(oxan-4-yl)amino]ethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 138479181) is methyl (7S)-7-methyl-3-[2-[methyl(oxan-4-yl)amino]ethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

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

The canonical SMILES for methyl (7S)-7-methyl-3-[2-[methyl(oxan-4-yl)amino]ethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is COC(=O)N1c2ccc3c(nc(CCn4ccccc4=O)n3CCN(C)C3CCOCC3)c2CC[C@@H]1C.

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

The InChIKey is CHKFWSBFCQFRLG-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H37N5O4/c1-20-7-8-22-23(33(20)28(35)36-3)9-10-24-27(22)29-25(11-15-31-14-5-4-6-26(31)34)32(24)17-16-30(2)21-12-18-37-19-13-21/h4-6,9-10,14,20-21H,7-8,11-13,15-19H2,1-3H3/t20-/m0/s1.

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

methyl (7S)-7-methyl-3-[2-[methyl(oxan-4-yl)amino]ethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 507.64 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (7S)-7-methyl-3-[2-[methyl(oxan-4-yl)amino]ethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 138479181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).