[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

C22H27N6O3+ — CID 7384360

About [(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 7384360) has the molecular formula C22H27N6O3+ and a molecular weight of 423.50 g/mol. Its IUPAC name is [(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

• Compound Name: [(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
• PubChem CID: 7384360
• Molecular Formula: C22H27N6O3+
• Molecular Weight: 423.50 g/mol
• Exact Mass: 423.21
• IUPAC Name: [(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
• SMILES: Cc1ccc2[nH]c(=O)c(C[NH+](CCCO)[C@H](C)c3nnnn3Cc3ccco3)cc2c1
• InChI: InChI=1S/C22H26N6O3/c1-15-6-7-20-17(11-15)12-18(22(30)23-20)13-27(8-4-9-29)16(2)21-24-25-26-28(21)14-19-5-3-10-31-19/h3,5-7,10-12,16,29H,4,8-9,13-14H2,1-2H3,(H,23,30)/p+1/t16-/m1/s1
• InChIKey: LCDRZRWWYZLBIL-MRXNPFEDSA-O
• XLogP: 0.99
• TPSA: 114.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.50
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The IUPAC name of [(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (CID 7384360) is [(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.

What is the SMILES notation for [(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The canonical SMILES for [(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is Cc1ccc2[nH]c(=O)c(C[NH+](CCCO)[C@H](C)c3nnnn3Cc3ccco3)cc2c1.

What is the InChIKey of [(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The InChIKey is LCDRZRWWYZLBIL-MRXNPFEDSA-O. The full InChI is InChI=1S/C22H26N6O3/c1-15-6-7-20-17(11-15)12-18(22(30)23-20)13-27(8-4-9-29)16(2)21-24-25-26-28(21)14-19-5-3-10-31-19/h3,5-7,10-12,16,29H,4,8-9,13-14H2,1-2H3,(H,23,30)/p+1/t16-/m1/s1.

What are the key properties of [(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 423.50 g/mol, XLogP of 0.99, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]ethyl]-(3-hydroxypropyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 7384360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).