7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C24H25N7O6 — CID 28608520

About 7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 28608520) has the molecular formula C24H25N7O6 and a molecular weight of 507.51 g/mol. Its IUPAC name is 7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

• Compound Name: 7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
• PubChem CID: 28608520
• Molecular Formula: C24H25N7O6
• Molecular Weight: 507.51 g/mol
• Exact Mass: 507.19
• IUPAC Name: 7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
• SMILES: COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(C(=O)c2ccco2)CC1
• InChI: InChI=1S/C24H25N7O6/c1-34-10-8-31-22(26-27-28-31)21(29-4-6-30(7-5-29)24(33)18-3-2-9-35-18)16-11-15-12-19-20(37-14-36-19)13-17(15)25-23(16)32/h2-3,9,11-13,21H,4-8,10,14H2,1H3,(H,25,32)/t21-/m1/s1
• InChIKey: ZCCHMTWNZSYTSY-OAQYLSRUSA-N
• XLogP: 1.03
• TPSA: 140.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.51
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?

The IUPAC name of 7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 28608520) is 7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

What is the SMILES notation for 7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?

The canonical SMILES for 7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(C(=O)c2ccco2)CC1.

What is the InChIKey of 7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?

The InChIKey is ZCCHMTWNZSYTSY-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25N7O6/c1-34-10-8-31-22(26-27-28-31)21(29-4-6-30(7-5-29)24(33)18-3-2-9-35-18)16-11-15-12-19-20(37-14-36-19)13-17(15)25-23(16)32/h2-3,9,11-13,21H,4-8,10,14H2,1H3,(H,25,32)/t21-/m1/s1.

What are the key properties of 7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?

7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 507.51 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 28608520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).