3-[(R)-[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one

C24H28N6O2 — CID 28503260

About 3-[(R)-[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one

3-[(R)-[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 28503260) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 3-[(R)-[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(R)-[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
• PubChem CID: 28503260
• Molecular Formula: C24H28N6O2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.23
• IUPAC Name: 3-[(R)-[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
• SMILES: CCN(Cc1ccccc1)[C@H](c1cc2ccc(C)cc2[nH]c1=O)c1nnnn1CCOC
• InChI: InChI=1S/C24H28N6O2/c1-4-29(16-18-8-6-5-7-9-18)22(23-26-27-28-30(23)12-13-32-3)20-15-19-11-10-17(2)14-21(19)25-24(20)31/h5-11,14-15,22H,4,12-13,16H2,1-3H3,(H,25,31)/t22-/m1/s1
• InChIKey: MTRXAYRJYDQNFN-JOCHJYFZSA-N
• XLogP: 3.08
• TPSA: 88.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[(R)-[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one (CID 28503260) is 3-[(R)-[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one.

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

The canonical SMILES for 3-[(R)-[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one is CCN(Cc1ccccc1)[C@H](c1cc2ccc(C)cc2[nH]c1=O)c1nnnn1CCOC.

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

The InChIKey is MTRXAYRJYDQNFN-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-4-29(16-18-8-6-5-7-9-18)22(23-26-27-28-30(23)12-13-32-3)20-15-19-11-10-17(2)14-21(19)25-24(20)31/h5-11,14-15,22H,4,12-13,16H2,1-3H3,(H,25,31)/t22-/m1/s1.

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

3-[(R)-[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 432.53 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(R)-[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 28503260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).