2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile

C23H23N3O — CID 145469722

About 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile

2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile (PubChem CID 145469722) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile.

Molecular Properties

• Compound Name: 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile
• PubChem CID: 145469722
• Molecular Formula: C23H23N3O
• Molecular Weight: 357.46 g/mol
• Exact Mass: 357.18
• IUPAC Name: 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile
• SMILES: CCc1cc2ccc(C(C)(C#N)C3CCc4c(C)ccnc43)cc2[nH]c1=O
• InChI: InChI=1S/C23H23N3O/c1-4-15-11-16-5-6-17(12-20(16)26-22(15)27)23(3,13-24)19-8-7-18-14(2)9-10-25-21(18)19/h5-6,9-12,19H,4,7-8H2,1-3H3,(H,26,27)
• InChIKey: KZIRWUITXGICQS-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 69.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.46
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile?

The IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile (CID 145469722) is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile.

What is the SMILES notation for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile?

The canonical SMILES for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile is CCc1cc2ccc(C(C)(C#N)C3CCc4c(C)ccnc43)cc2[nH]c1=O.

What is the InChIKey of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile?

The InChIKey is KZIRWUITXGICQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-4-15-11-16-5-6-17(12-20(16)26-22(15)27)23(3,13-24)19-8-7-18-14(2)9-10-25-21(18)19/h5-6,9-12,19H,4,7-8H2,1-3H3,(H,26,27).

What are the key properties of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile?

2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile has a molecular weight of 357.46 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propanenitrile is sourced from PubChem (CID 145469722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).