(2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate

C25H18N2O2 — CID 15064245

IUPAC(2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ncc3ccccc3c12
InChIInChI=1S/C25H18N2O2/c1-17(28)29-25-22(18-10-4-2-5-11-18)23(19-12-6-3-7-13-19)27-24(25)21-15-9-8-14-20(21)16-26-27/h2-16H,1H3
InChIKeyWFAOGAQZMZRIGT-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.75
Rot. Bonds3

About (2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate

(2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate (PubChem CID 15064245) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate.

Molecular Properties

Compound Name(2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate
PubChem CID15064245
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name(2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ncc3ccccc3c12
InChIInChI=1S/C25H18N2O2/c1-17(28)29-25-22(18-10-4-2-5-11-18)23(19-12-6-3-7-13-19)27-24(25)21-15-9-8-14-20(21)16-26-27/h2-16H,1H3
InChIKeyWFAOGAQZMZRIGT-UHFFFAOYSA-N
XLogP5.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate?
The IUPAC name of (2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate (CID 15064245) is (2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate.
What is the SMILES notation for (2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate?
The canonical SMILES for (2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate is CC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ncc3ccccc3c12.
What is the InChIKey of (2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate?
The InChIKey is WFAOGAQZMZRIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-17(28)29-25-22(18-10-4-2-5-11-18)23(19-12-6-3-7-13-19)27-24(25)21-15-9-8-14-20(21)16-26-27/h2-16H,1H3.
What are the key properties of (2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate?
(2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate has a molecular weight of 378.43 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenylpyrrolo[2,1-a]phthalazin-1-yl) acetate is sourced from PubChem (CID 15064245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).