6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one

C26H38N6O2 — CID 6557705

About 6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one

6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 6557705) has the molecular formula C26H38N6O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
• PubChem CID: 6557705
• Molecular Formula: C26H38N6O2
• Molecular Weight: 466.63 g/mol
• Exact Mass: 466.31
• IUPAC Name: 6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
• SMILES: CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1
• InChI: InChI=1S/C26H38N6O2/c1-7-26(5,6)32-24(28-29-30-32)23(17(2)3)31(16-21-9-8-12-34-21)15-20-14-19-13-18(4)10-11-22(19)27-25(20)33/h10-11,13-14,17,21,23H,7-9,12,15-16H2,1-6H3,(H,27,33)/t21-,23+/m0/s1
• InChIKey: NSJHHWSMYYDMSI-JTHBVZDNSA-N
• XLogP: 4.35
• TPSA: 88.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.63
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one?

The IUPAC name of 6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one (CID 6557705) is 6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one.

What is the SMILES notation for 6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one?

The canonical SMILES for 6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one is CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1.

What is the InChIKey of 6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one?

The InChIKey is NSJHHWSMYYDMSI-JTHBVZDNSA-N. The full InChI is InChI=1S/C26H38N6O2/c1-7-26(5,6)32-24(28-29-30-32)23(17(2)3)31(16-21-9-8-12-34-21)15-20-14-19-13-18(4)10-11-22(19)27-25(20)33/h10-11,13-14,17,21,23H,7-9,12,15-16H2,1-6H3,(H,27,33)/t21-,23+/m0/s1.

What are the key properties of 6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one?

6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 466.63 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 6557705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).