3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

C23H35N6O2+ — CID 7099430

About 3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 7099430) has the molecular formula C23H35N6O2+ and a molecular weight of 427.57 g/mol. Its IUPAC name is 3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

• Compound Name: 3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
• PubChem CID: 7099430
• Molecular Formula: C23H35N6O2+
• Molecular Weight: 427.57 g/mol
• Exact Mass: 427.28
• IUPAC Name: 3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
• SMILES: CC[C@H](c1nnnn1C(C)(C)CC)[NH+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O
• InChI: InChI=1S/C23H34N6O2/c1-6-19(21-25-26-27-29(21)23(4,5)7-2)28(12-9-13-30)15-18-14-17-11-8-10-16(3)20(17)24-22(18)31/h8,10-11,14,19,30H,6-7,9,12-13,15H2,1-5H3,(H,24,31)/p+1/t19-/m1/s1
• InChIKey: SGAVGCYOSNHLHH-LJQANCHMSA-O
• XLogP: 1.89
• TPSA: 101.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.57
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The IUPAC name of 3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (CID 7099430) is 3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.

What is the SMILES notation for 3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The canonical SMILES for 3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is CC[C@H](c1nnnn1C(C)(C)CC)[NH+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O.

What is the InChIKey of 3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The InChIKey is SGAVGCYOSNHLHH-LJQANCHMSA-O. The full InChI is InChI=1S/C23H34N6O2/c1-6-19(21-25-26-27-29(21)23(4,5)7-2)28(12-9-13-30)15-18-14-17-11-8-10-16(3)20(17)24-22(18)31/h8,10-11,14,19,30H,6-7,9,12-13,15H2,1-5H3,(H,24,31)/p+1/t19-/m1/s1.

What are the key properties of 3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 427.57 g/mol, XLogP of 1.89, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 7099430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).