N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide

C23H25FN4O3 — CID 23449625

IUPACN-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide
SMILESO=C(CCCCN1CCOCC1)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C23H25FN4O3/c24-19-9-8-16(22-17-5-1-2-6-18(17)23(30)27-26-22)15-20(19)25-21(29)7-3-4-10-28-11-13-31-14-12-28/h1-2,5-6,8-9,15H,3-4,7,10-14H2,(H,25,29)(H,27,30)
InChIKeyAZAZEMLMNSINIO-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.17
Rot. Bonds7

About N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide

N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide (PubChem CID 23449625) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide
PubChem CID23449625
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide
SMILESO=C(CCCCN1CCOCC1)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C23H25FN4O3/c24-19-9-8-16(22-17-5-1-2-6-18(17)23(30)27-26-22)15-20(19)25-21(29)7-3-4-10-28-11-13-31-14-12-28/h1-2,5-6,8-9,15H,3-4,7,10-14H2,(H,25,29)(H,27,30)
InChIKeyAZAZEMLMNSINIO-UHFFFAOYSA-N
XLogP3.17
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
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-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide?
The IUPAC name of N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide (CID 23449625) is N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide.
What is the SMILES notation for N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide?
The canonical SMILES for N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide is O=C(CCCCN1CCOCC1)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide?
The InChIKey is AZAZEMLMNSINIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c24-19-9-8-16(22-17-5-1-2-6-18(17)23(30)27-26-22)15-20(19)25-21(29)7-3-4-10-28-11-13-31-14-12-28/h1-2,5-6,8-9,15H,3-4,7,10-14H2,(H,25,29)(H,27,30).
What are the key properties of N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide?
N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide has a molecular weight of 424.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide is sourced from PubChem (CID 23449625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).