2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

C22H33N6O2+ — CID 7382683

About 2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 7382683) has the molecular formula C22H33N6O2+ and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

• Compound Name: 2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
• PubChem CID: 7382683
• Molecular Formula: C22H33N6O2+
• Molecular Weight: 413.55 g/mol
• Exact Mass: 413.27
• IUPAC Name: 2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
• SMILES: CC[C@H](c1nnnn1C(C)(C)CC)[NH+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O
• InChI: InChI=1S/C22H32N6O2/c1-6-19(20-24-25-26-28(20)22(4,5)7-2)27(10-11-29)14-17-13-16-9-8-15(3)12-18(16)23-21(17)30/h8-9,12-13,19,29H,6-7,10-11,14H2,1-5H3,(H,23,30)/p+1/t19-/m1/s1
• InChIKey: DCGQSRIFZHOOLU-LJQANCHMSA-O
• XLogP: 1.50
• TPSA: 101.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.55
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The IUPAC name of 2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (CID 7382683) is 2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.

What is the SMILES notation for 2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The canonical SMILES for 2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is CC[C@H](c1nnnn1C(C)(C)CC)[NH+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O.

What is the InChIKey of 2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The InChIKey is DCGQSRIFZHOOLU-LJQANCHMSA-O. The full InChI is InChI=1S/C22H32N6O2/c1-6-19(20-24-25-26-28(20)22(4,5)7-2)27(10-11-29)14-17-13-16-9-8-15(3)12-18(16)23-21(17)30/h8-9,12-13,19,29H,6-7,10-11,14H2,1-5H3,(H,23,30)/p+1/t19-/m1/s1.

What are the key properties of 2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 413.55 g/mol, XLogP of 1.50, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 7382683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).