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

C27H32N6O5 — CID 167089821

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

methyl (7S)-3-[2-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 167089821) has the molecular formula C27H32N6O5 and a molecular weight of 520.59 g/mol. Its IUPAC name is methyl (7S)-3-[2-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

• Compound Name: methyl (7S)-3-[2-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• PubChem CID: 167089821
• Molecular Formula: C27H32N6O5
• Molecular Weight: 520.59 g/mol
• Exact Mass: 520.24
• IUPAC Name: methyl (7S)-3-[2-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]-7-methyl-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)n3CC(O)NCc3cc(C)no3)c2CC[C@@H]1C
• InChI: InChI=1S/C27H32N6O5/c1-17-14-19(38-30-17)15-28-24(34)16-32-22-10-9-21-20(8-7-18(2)33(21)27(36)37-3)26(22)29-23(32)11-13-31-12-5-4-6-25(31)35/h4-6,9-10,12,14,18,24,28,34H,7-8,11,13,15-16H2,1-3H3/t18-,24?/m0/s1
• InChIKey: KOIWAOLFLZZWKM-VEXWJQHLSA-N
• XLogP: 2.75
• TPSA: 127.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.59
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of methyl (7S)-3-[2-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 167089821) is methyl (7S)-3-[2-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]-7-methyl-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)-3-[2-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The canonical SMILES for methyl (7S)-3-[2-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]-7-methyl-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)n3CC(O)NCc3cc(C)no3)c2CC[C@@H]1C.

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

The InChIKey is KOIWAOLFLZZWKM-VEXWJQHLSA-N. The full InChI is InChI=1S/C27H32N6O5/c1-17-14-19(38-30-17)15-28-24(34)16-32-22-10-9-21-20(8-7-18(2)33(21)27(36)37-3)26(22)29-23(32)11-13-31-12-5-4-6-25(31)35/h4-6,9-10,12,14,18,24,28,34H,7-8,11,13,15-16H2,1-3H3/t18-,24?/m0/s1.

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

methyl (7S)-3-[2-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 520.59 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (7S)-3-[2-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 167089821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).