2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile

C29H30N4O — CID 59393430

About 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile

2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile (PubChem CID 59393430) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile.

Molecular Properties

• Compound Name: 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile
• PubChem CID: 59393430
• Molecular Formula: C29H30N4O
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.24
• IUPAC Name: 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile
• SMILES: CCc1cc2ccc(C(C)(C#N)Cc3cccc(N(C)CCc4ccccc4)n3)cc2[nH]c1=O
• InChI: InChI=1S/C29H30N4O/c1-4-22-17-23-13-14-24(18-26(23)32-28(22)34)29(2,20-30)19-25-11-8-12-27(31-25)33(3)16-15-21-9-6-5-7-10-21/h5-14,17-18H,4,15-16,19H2,1-3H3,(H,32,34)
• InChIKey: ZMBQIOCALZCILQ-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 72.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile?

The IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile (CID 59393430) is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile.

What is the SMILES notation for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile?

The canonical SMILES for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile is CCc1cc2ccc(C(C)(C#N)Cc3cccc(N(C)CCc4ccccc4)n3)cc2[nH]c1=O.

What is the InChIKey of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile?

The InChIKey is ZMBQIOCALZCILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c1-4-22-17-23-13-14-24(18-26(23)32-28(22)34)29(2,20-30)19-25-11-8-12-27(31-25)33(3)16-15-21-9-6-5-7-10-21/h5-14,17-18H,4,15-16,19H2,1-3H3,(H,32,34).

What are the key properties of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile?

2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile has a molecular weight of 450.59 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile is sourced from PubChem (CID 59393430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).