5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one

C23H28ClN3O2 — CID 10549690

About 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one

5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one (PubChem CID 10549690) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
• PubChem CID: 10549690
• Molecular Formula: C23H28ClN3O2
• Molecular Weight: 413.95 g/mol
• Exact Mass: 413.19
• IUPAC Name: 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
• SMILES: COc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1
• InChI: InChI=1S/C23H28ClN3O2/c1-29-19-6-2-5-18(17-19)26-15-13-25(14-16-26)11-4-12-27-22-8-3-7-21(24)20(22)9-10-23(27)28/h2-3,5-8,17H,4,9-16H2,1H3
• InChIKey: XVRBDAQPJMZOLI-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 36.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.95
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?

The IUPAC name of 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one (CID 10549690) is 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?

The canonical SMILES for 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one is COc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1.

What is the InChIKey of 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?

The InChIKey is XVRBDAQPJMZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-29-19-6-2-5-18(17-19)26-15-13-25(14-16-26)11-4-12-27-22-8-3-7-21(24)20(22)9-10-23(27)28/h2-3,5-8,17H,4,9-16H2,1H3.

What are the key properties of 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?

5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 413.95 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10549690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).