4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate

C15H14N3O4- — CID 2386910

IUPAC4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate
SMILESO=C([O-])c1nn(CC(=O)N2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C15H15N3O4/c19-12(17-7-3-4-8-17)9-18-14(20)11-6-2-1-5-10(11)13(16-18)15(21)22/h1-2,5-6H,3-4,7-9H2,(H,21,22)/p-1
InChIKeyAJPPVFVINQRYOT-UHFFFAOYSA-M
MW300.29 g/mol
LogP-0.62
Rot. Bonds3

About 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate

4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate (PubChem CID 2386910) has the molecular formula C15H14N3O4- and a molecular weight of 300.29 g/mol. Its IUPAC name is 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate.

Molecular Properties

Compound Name4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate
PubChem CID2386910
Molecular FormulaC15H14N3O4-
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate
SMILESO=C([O-])c1nn(CC(=O)N2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C15H15N3O4/c19-12(17-7-3-4-8-17)9-18-14(20)11-6-2-1-5-10(11)13(16-18)15(21)22/h1-2,5-6H,3-4,7-9H2,(H,21,22)/p-1
InChIKeyAJPPVFVINQRYOT-UHFFFAOYSA-M
XLogP-0.62
TPSA95.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid
CID 2386911
3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate
CID 2376076
4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxylic acid
CID 2363596
2-[4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazin-1-yl]acetic acid
CID 102534128
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
3-[2-(dicyclohexylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2394131
4-oxo-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid
CID 16611070
3-[2-(2-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2351837
1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 46378636
3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2347297
3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9489790
2-[2-[(4S)-4-aminoazepan-1-yl]-2-oxoethyl]-4-phenylphthalazin-1-one
CID 95711456

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate?
The IUPAC name of 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate (CID 2386910) is 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate.
What is the SMILES notation for 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate?
The canonical SMILES for 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate is O=C([O-])c1nn(CC(=O)N2CCCC2)c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate?
The InChIKey is AJPPVFVINQRYOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15N3O4/c19-12(17-7-3-4-8-17)9-18-14(20)11-6-2-1-5-10(11)13(16-18)15(21)22/h1-2,5-6H,3-4,7-9H2,(H,21,22)/p-1.
What are the key properties of 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate?
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate has a molecular weight of 300.29 g/mol, XLogP of -0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate is sourced from PubChem (CID 2386910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).