6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one

C26H32N6O3 — CID 3199480

About 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one

6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 3199480) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
• PubChem CID: 3199480
• Molecular Formula: C26H32N6O3
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.25
• IUPAC Name: 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
• SMILES: CCC(c1nnnn1CCOC)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O
• InChI: InChI=1S/C26H32N6O3/c1-4-24(25-28-29-30-32(25)14-15-34-2)31(13-12-19-8-6-5-7-9-19)18-21-16-20-17-22(35-3)10-11-23(20)27-26(21)33/h5-11,16-17,24H,4,12-15,18H2,1-3H3,(H,27,33)
• InChIKey: JDRUCIWGJOSHIE-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 98.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?

The IUPAC name of 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one (CID 3199480) is 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one.

What is the SMILES notation for 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?

The canonical SMILES for 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one is CCC(c1nnnn1CCOC)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O.

What is the InChIKey of 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?

The InChIKey is JDRUCIWGJOSHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-4-24(25-28-29-30-32(25)14-15-34-2)31(13-12-19-8-6-5-7-9-19)18-21-16-20-17-22(35-3)10-11-23(20)27-26(21)33/h5-11,16-17,24H,4,12-15,18H2,1-3H3,(H,27,33).

What are the key properties of 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?

6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 476.58 g/mol, XLogP of 3.37, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-3-[[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3199480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).