N-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide

C23H30N4O4 — CID 22185065

IUPACN-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide
SMILESCCCCCC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1
InChIInChI=1S/C23H30N4O4/c1-3-4-5-10-21(28)26-11-13-27(14-12-26)22(29)16-24-23(30)19-15-20(31-2)17-8-6-7-9-18(17)25-19/h6-9,15H,3-5,10-14,16H2,1-2H3,(H,24,30)
InChIKeyIOPVWMXAOHLRBD-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.22
Rot. Bonds8

About N-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide

N-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide (PubChem CID 22185065) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide
PubChem CID22185065
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide
SMILESCCCCCC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1
InChIInChI=1S/C23H30N4O4/c1-3-4-5-10-21(28)26-11-13-27(14-12-26)22(29)16-24-23(30)19-15-20(31-2)17-8-6-7-9-18(17)25-19/h6-9,15H,3-5,10-14,16H2,1-2H3,(H,24,30)
InChIKeyIOPVWMXAOHLRBD-UHFFFAOYSA-N
XLogP2.22
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide?
The IUPAC name of N-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide (CID 22185065) is N-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide is CCCCCC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1.
What is the InChIKey of N-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide?
The InChIKey is IOPVWMXAOHLRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-3-4-5-10-21(28)26-11-13-27(14-12-26)22(29)16-24-23(30)19-15-20(31-2)17-8-6-7-9-18(17)25-19/h6-9,15H,3-5,10-14,16H2,1-2H3,(H,24,30).
What are the key properties of N-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide?
N-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hexanoylpiperazin-1-yl)-2-oxoethyl]-4-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 22185065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).