ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate

C24H32N6O6 — CID 40594054

About ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate

ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate (PubChem CID 40594054) has the molecular formula C24H32N6O6 and a molecular weight of 500.56 g/mol. Its IUPAC name is ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
• PubChem CID: 40594054
• Molecular Formula: C24H32N6O6
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.24
• IUPAC Name: ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
• SMILES: CCOC(=O)C1CCN([C@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)c2nnnn2CCOC)CC1
• InChI: InChI=1S/C24H32N6O6/c1-5-36-24(32)15-6-8-29(9-7-15)21(22-26-27-28-30(22)10-11-33-2)17-12-16-13-19(34-3)20(35-4)14-18(16)25-23(17)31/h12-15,21H,5-11H2,1-4H3,(H,25,31)/t21-/m1/s1
• InChIKey: RKAFCVMSVZFLQA-OAQYLSRUSA-N
• XLogP: 1.54
• TPSA: 133.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate?

The IUPAC name of ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate (CID 40594054) is ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate.

What is the SMILES notation for ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate?

The canonical SMILES for ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN([C@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)c2nnnn2CCOC)CC1.

What is the InChIKey of ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate?

The InChIKey is RKAFCVMSVZFLQA-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H32N6O6/c1-5-36-24(32)15-6-8-29(9-7-15)21(22-26-27-28-30(22)10-11-33-2)17-12-16-13-19(34-3)20(35-4)14-18(16)25-23(17)31/h12-15,21H,5-11H2,1-4H3,(H,25,31)/t21-/m1/s1.

What are the key properties of ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate?

ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate has a molecular weight of 500.56 g/mol, XLogP of 1.54, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[(R)-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 40594054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).