4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

C19H20FN3O2 — CID 25006090

IUPAC4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESO=C1CCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
InChIInChI=1S/C19H20FN3O2/c20-15-8-7-12(11-17(15)23-9-3-6-18(23)24)10-16-13-4-1-2-5-14(13)19(25)22-21-16/h7-8,11H,1-6,9-10H2,(H,22,25)
InChIKeyGWOBEUQZAWARGN-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.51
Rot. Bonds3

About 4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 25006090) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID25006090
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESO=C1CCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
InChIInChI=1S/C19H20FN3O2/c20-15-8-7-12(11-17(15)23-9-3-6-18(23)24)10-16-13-4-1-2-5-14(13)19(25)22-21-16/h7-8,11H,1-6,9-10H2,(H,22,25)
InChIKeyGWOBEUQZAWARGN-UHFFFAOYSA-N
XLogP2.51
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of 4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 25006090) is 4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for 4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one is O=C1CCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F.
What is the InChIKey of 4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is GWOBEUQZAWARGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-15-8-7-12(11-17(15)23-9-3-6-18(23)24)10-16-13-4-1-2-5-14(13)19(25)22-21-16/h7-8,11H,1-6,9-10H2,(H,22,25).
What are the key properties of 4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 341.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 25006090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).