5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride

C26H37Cl2N3O3 — CID 19423440

About 5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride

5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride (PubChem CID 19423440) has the molecular formula C26H37Cl2N3O3 and a molecular weight of 510.51 g/mol. Its IUPAC name is 5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride.

Molecular Properties

• Compound Name: 5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride
• PubChem CID: 19423440
• Molecular Formula: C26H37Cl2N3O3
• Molecular Weight: 510.51 g/mol
• Exact Mass: 509.22
• IUPAC Name: 5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride
• SMILES: COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(OC(C)C)c2)CC1.Cl.Cl
• InChI: InChI=1S/C26H35N3O3.2ClH/c1-20(2)32-22-8-4-7-21(19-22)28-17-15-27(16-18-28)13-6-14-29-24-9-5-10-25(31-3)23(24)11-12-26(29)30;;/h4-5,7-10,19-20H,6,11-18H2,1-3H3;2*1H
• InChIKey: YZAICOOMYRPQRI-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 45.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.51
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride?

The IUPAC name of 5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride (CID 19423440) is 5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride.

What is the SMILES notation for 5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride?

The canonical SMILES for 5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride is COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(OC(C)C)c2)CC1.Cl.Cl.

What is the InChIKey of 5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride?

The InChIKey is YZAICOOMYRPQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3.2ClH/c1-20(2)32-22-8-4-7-21(19-22)28-17-15-27(16-18-28)13-6-14-29-24-9-5-10-25(31-3)23(24)11-12-26(29)30;;/h4-5,7-10,19-20H,6,11-18H2,1-3H3;2*1H.

What are the key properties of 5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride?

5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride has a molecular weight of 510.51 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride is sourced from PubChem (CID 19423440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).