2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

C112H144N16O13 — CID 158301657

About 2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 158301657) has the molecular formula C112H144N16O13 and a molecular weight of 1922.48 g/mol. Its IUPAC name is 2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

• Compound Name: 2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• PubChem CID: 158301657
• Molecular Formula: C112H144N16O13
• Molecular Weight: 1922.48 g/mol
• Exact Mass: 1921.11
• IUPAC Name: 2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
• SMILES: CC1CNCC(C)O1.COC(=O)N1c2ccc3c(nc(Cc4ccccc4)n3CC=O)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(Cc4ccccc4)n3CCN3C[C@@H](C)O[C@@H](C)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(Cc4ccccc4)n3CCN3C[C@@H](C)O[C@H](C)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(Cc4ccccc4)n3CCN3C[C@H](C)O[C@@H](C)C3)c2CC[C@@H]1C
• InChI: InChI=1S/3C28H36N4O3.C22H23N3O3.C6H13NO/c3*1-19-10-11-23-24(32(19)28(33)34-4)12-13-25-27(23)29-26(16-22-8-6-5-7-9-22)31(25)15-14-30-17-20(2)35-21(3)18-30;1-15-8-9-17-18(25(15)22(27)28-2)10-11-19-21(17)23-20(24(19)12-13-26)14-16-6-4-3-5-7-16;1-5-3-7-4-6(2)8-5/h3*5-9,12-13,19-21H,10-11,14-18H2,1-4H3;3-7,10-11,13,15H,8-9,12,14H2,1-2H3;5-7H,3-4H2,1-2H3/t19-,20+,21+;19-,20-,21+;19-,20-,21-;15-;/m0000./s1
• InChIKey: GMOKTTHFRGOBLW-GHNXAWMNSA-N
• XLogP: 18.05
• TPSA: 265.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1922.48
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The IUPAC name of 2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 158301657) is 2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

What is the SMILES notation for 2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The canonical SMILES for 2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is CC1CNCC(C)O1.COC(=O)N1c2ccc3c(nc(Cc4ccccc4)n3CC=O)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(Cc4ccccc4)n3CCN3C[C@@H](C)O[C@@H](C)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(Cc4ccccc4)n3CCN3C[C@@H](C)O[C@H](C)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(Cc4ccccc4)n3CCN3C[C@H](C)O[C@@H](C)C3)c2CC[C@@H]1C.

What is the InChIKey of 2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

The InChIKey is GMOKTTHFRGOBLW-GHNXAWMNSA-N. The full InChI is InChI=1S/3C28H36N4O3.C22H23N3O3.C6H13NO/c3*1-19-10-11-23-24(32(19)28(33)34-4)12-13-25-27(23)29-26(16-22-8-6-5-7-9-22)31(25)15-14-30-17-20(2)35-21(3)18-30;1-15-8-9-17-18(25(15)22(27)28-2)10-11-19-21(17)23-20(24(19)12-13-26)14-16-6-4-3-5-7-16;1-5-3-7-4-6(2)8-5/h3*5-9,12-13,19-21H,10-11,14-18H2,1-4H3;3-7,10-11,13,15H,8-9,12,14H2,1-2H3;5-7H,3-4H2,1-2H3/t19-,20+,21+;19-,20-,21+;19-,20-,21-;15-;/m0000./s1.

What are the key properties of 2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?

2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 1922.48 g/mol, XLogP of 18.05, 19 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 158301657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).