3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one

C23H28N6O3 — CID 3199355

About 3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one

3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 3199355) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
• PubChem CID: 3199355
• Molecular Formula: C23H28N6O3
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.22
• IUPAC Name: 3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
• SMILES: CCC(c1nnnn1CCOC)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O
• InChI: InChI=1S/C23H28N6O3/c1-4-21(22-25-26-27-29(22)9-11-31-3)28(15-19-6-5-10-32-19)14-18-13-17-8-7-16(2)12-20(17)24-23(18)30/h5-8,10,12-13,21H,4,9,11,14-15H2,1-3H3,(H,24,30)
• InChIKey: HDHDUVZQMASFGG-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 102.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one?

The IUPAC name of 3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one (CID 3199355) is 3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one?

The canonical SMILES for 3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one is CCC(c1nnnn1CCOC)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O.

What is the InChIKey of 3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one?

The InChIKey is HDHDUVZQMASFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-4-21(22-25-26-27-29(22)9-11-31-3)28(15-19-6-5-10-32-19)14-18-13-17-8-7-16(2)12-20(17)24-23(18)30/h5-8,10,12-13,21H,4,9,11,14-15H2,1-3H3,(H,24,30).

What are the key properties of 3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one?

3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 436.52 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[furan-2-ylmethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3199355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).