ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate

C25H34N6O4 — CID 124899507

About ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate

ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate (PubChem CID 124899507) has the molecular formula C25H34N6O4 and a molecular weight of 482.59 g/mol. Its IUPAC name is ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate
• PubChem CID: 124899507
• Molecular Formula: C25H34N6O4
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.26
• IUPAC Name: ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate
• SMILES: CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1
• InChI: InChI=1S/C25H34N6O4/c1-5-22(24-27-28-29-31(24)15-23(32)34-6-2)30(14-19-8-7-9-35-19)13-18-12-20-17(4)10-16(3)11-21(20)26-25(18)33/h10-12,19,22H,5-9,13-15H2,1-4H3,(H,26,33)/t19-,22-/m1/s1
• InChIKey: IIPOXJJHARQFLZ-DENIHFKCSA-N
• XLogP: 2.83
• TPSA: 115.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate?

The IUPAC name of ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate (CID 124899507) is ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate.

What is the SMILES notation for ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate?

The canonical SMILES for ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate is CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1.

What is the InChIKey of ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate?

The InChIKey is IIPOXJJHARQFLZ-DENIHFKCSA-N. The full InChI is InChI=1S/C25H34N6O4/c1-5-22(24-27-28-29-31(24)15-23(32)34-6-2)30(14-19-8-7-9-35-19)13-18-12-20-17(4)10-16(3)11-21(20)26-25(18)33/h10-12,19,22H,5-9,13-15H2,1-4H3,(H,26,33)/t19-,22-/m1/s1.

What are the key properties of ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate?

ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate has a molecular weight of 482.59 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 124899507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).