5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one

C18H23N3O5 — CID 54716652

IUPAC5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one
SMILESCC(=O)N1CCN(CCCOc2cccc3[nH]c(=O)c(O)c(O)c23)CC1
InChIInChI=1S/C18H23N3O5/c1-12(22)21-9-7-20(8-10-21)6-3-11-26-14-5-2-4-13-15(14)16(23)17(24)18(25)19-13/h2,4-5,24H,3,6-11H2,1H3,(H2,19,23,25)
InChIKeyKHYXNLOFRIJCSQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.87
Rot. Bonds5

About 5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one

5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one (PubChem CID 54716652) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one
PubChem CID54716652
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one
SMILESCC(=O)N1CCN(CCCOc2cccc3[nH]c(=O)c(O)c(O)c23)CC1
InChIInChI=1S/C18H23N3O5/c1-12(22)21-9-7-20(8-10-21)6-3-11-26-14-5-2-4-13-15(14)16(23)17(24)18(25)19-13/h2,4-5,24H,3,6-11H2,1H3,(H2,19,23,25)
InChIKeyKHYXNLOFRIJCSQ-UHFFFAOYSA-N
XLogP0.87
TPSA106.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one?
The IUPAC name of 5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one (CID 54716652) is 5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one.
What is the SMILES notation for 5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one?
The canonical SMILES for 5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one is CC(=O)N1CCN(CCCOc2cccc3[nH]c(=O)c(O)c(O)c23)CC1.
What is the InChIKey of 5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one?
The InChIKey is KHYXNLOFRIJCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-12(22)21-9-7-20(8-10-21)6-3-11-26-14-5-2-4-13-15(14)16(23)17(24)18(25)19-13/h2,4-5,24H,3,6-11H2,1H3,(H2,19,23,25).
What are the key properties of 5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one?
5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one has a molecular weight of 361.40 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-acetylpiperazin-1-yl)propoxy]-3,4-dihydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54716652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).