2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate

C22H18N2O3 — CID 159221966

IUPAC2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate
SMILESO=C(Cc1cccc2ccccc12)OCCn1ncc2ccccc2c1=O
InChIInChI=1S/C22H18N2O3/c25-21(14-17-9-5-8-16-6-1-3-10-19(16)17)27-13-12-24-22(26)20-11-4-2-7-18(20)15-23-24/h1-11,15H,12-14H2
InChIKeyKRUPMLIACBNJGA-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.34
Rot. Bonds5

About 2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate

2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate (PubChem CID 159221966) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate
PubChem CID159221966
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate
SMILESO=C(Cc1cccc2ccccc12)OCCn1ncc2ccccc2c1=O
InChIInChI=1S/C22H18N2O3/c25-21(14-17-9-5-8-16-6-1-3-10-19(16)17)27-13-12-24-22(26)20-11-4-2-7-18(20)15-23-24/h1-11,15H,12-14H2
InChIKeyKRUPMLIACBNJGA-UHFFFAOYSA-N
XLogP3.34
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate?
The IUPAC name of 2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate (CID 159221966) is 2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate.
What is the SMILES notation for 2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate?
The canonical SMILES for 2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate is O=C(Cc1cccc2ccccc12)OCCn1ncc2ccccc2c1=O.
What is the InChIKey of 2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate?
The InChIKey is KRUPMLIACBNJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-21(14-17-9-5-8-16-6-1-3-10-19(16)17)27-13-12-24-22(26)20-11-4-2-7-18(20)15-23-24/h1-11,15H,12-14H2.
What are the key properties of 2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate?
2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate has a molecular weight of 358.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate is sourced from PubChem (CID 159221966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).