7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one

C23H26FN3O4 — CID 162645440

IUPAC7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one
SMILESO=c1c(O)c(-c2ccccc2)[nH]c2cc(F)c(N3CCN(CCOCCO)CC3)cc12
InChIInChI=1S/C23H26FN3O4/c24-18-15-19-17(22(29)23(30)21(25-19)16-4-2-1-3-5-16)14-20(18)27-8-6-26(7-9-27)10-12-31-13-11-28/h1-5,14-15,28,30H,6-13H2,(H,25,29)
InChIKeyWEIWRWDMOMMKGZ-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.17
Rot. Bonds7

About 7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one

7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one (PubChem CID 162645440) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is 7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one
PubChem CID162645440
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC Name7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one
SMILESO=c1c(O)c(-c2ccccc2)[nH]c2cc(F)c(N3CCN(CCOCCO)CC3)cc12
InChIInChI=1S/C23H26FN3O4/c24-18-15-19-17(22(29)23(30)21(25-19)16-4-2-1-3-5-16)14-20(18)27-8-6-26(7-9-27)10-12-31-13-11-28/h1-5,14-15,28,30H,6-13H2,(H,25,29)
InChIKeyWEIWRWDMOMMKGZ-UHFFFAOYSA-N
XLogP2.17
TPSA89.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.17
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 7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one (CID 162645440) is 7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one is O=c1c(O)c(-c2ccccc2)[nH]c2cc(F)c(N3CCN(CCOCCO)CC3)cc12.
What is the InChIKey of 7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one?
The InChIKey is WEIWRWDMOMMKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4/c24-18-15-19-17(22(29)23(30)21(25-19)16-4-2-1-3-5-16)14-20(18)27-8-6-26(7-9-27)10-12-31-13-11-28/h1-5,14-15,28,30H,6-13H2,(H,25,29).
What are the key properties of 7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one?
7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one has a molecular weight of 427.48 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 162645440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).