6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C24H29N3O2 — CID 31281845

About 6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 31281845) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 31281845
• Molecular Formula: C24H29N3O2
• Molecular Weight: 391.52 g/mol
• Exact Mass: 391.23
• IUPAC Name: 6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
• SMILES: CC(C)c1ccc(CN2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1
• InChI: InChI=1S/C24H29N3O2/c1-17(2)19-5-3-18(4-6-19)16-26-11-13-27(14-12-26)24(29)21-7-9-22-20(15-21)8-10-23(28)25-22/h3-7,9,15,17H,8,10-14,16H2,1-2H3,(H,25,28)
• InChIKey: VAXABODCKPFHOG-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.52
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 31281845) is 6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is CC(C)c1ccc(CN2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1.

What is the InChIKey of 6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is VAXABODCKPFHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17(2)19-5-3-18(4-6-19)16-26-11-13-27(14-12-26)24(29)21-7-9-22-20(15-21)8-10-23(28)25-22/h3-7,9,15,17H,8,10-14,16H2,1-2H3,(H,25,28).

What are the key properties of 6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?

6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 391.52 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 31281845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).