ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate

C24H31N7O6 — CID 3200389

About ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate

ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate (PubChem CID 3200389) has the molecular formula C24H31N7O6 and a molecular weight of 513.56 g/mol. Its IUPAC name is ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
• PubChem CID: 3200389
• Molecular Formula: C24H31N7O6
• Molecular Weight: 513.56 g/mol
• Exact Mass: 513.23
• IUPAC Name: ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
• SMILES: CCOC(=O)Cn1nnnc1CN(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
• InChI: InChI=1S/C24H31N7O6/c1-2-35-23(32)15-31-22(26-27-28-31)14-30(5-3-4-29-6-8-34-9-7-29)13-18-10-17-11-20-21(37-16-36-20)12-19(17)25-24(18)33/h10-12H,2-9,13-16H2,1H3,(H,25,33)
• InChIKey: AAOUQQJQWVMHPF-UHFFFAOYSA-N
• XLogP: 0.53
• TPSA: 136.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.56
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate?

The IUPAC name of ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate (CID 3200389) is ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate.

What is the SMILES notation for ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate?

The canonical SMILES for ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate is CCOC(=O)Cn1nnnc1CN(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3.

What is the InChIKey of ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate?

The InChIKey is AAOUQQJQWVMHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O6/c1-2-35-23(32)15-31-22(26-27-28-31)14-30(5-3-4-29-6-8-34-9-7-29)13-18-10-17-11-20-21(37-16-36-20)12-19(17)25-24(18)33/h10-12H,2-9,13-16H2,1H3,(H,25,33).

What are the key properties of ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate?

ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate has a molecular weight of 513.56 g/mol, XLogP of 0.53, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[5-[[3-morpholin-4-ylpropyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]methyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 3200389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).