4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide

C16H18N4O3 — CID 46598237

IUPAC4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H18N4O3/c21-13(20-9-3-4-10-20)7-8-17-16(23)14-11-5-1-2-6-12(11)15(22)19-18-14/h1-2,5-6H,3-4,7-10H2,(H,17,23)(H,19,22)
InChIKeyWNIKVMNUKSLNEV-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.67
Rot. Bonds4

About 4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide

4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide (PubChem CID 46598237) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide
PubChem CID46598237
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H18N4O3/c21-13(20-9-3-4-10-20)7-8-17-16(23)14-11-5-1-2-6-12(11)15(22)19-18-14/h1-2,5-6H,3-4,7-10H2,(H,17,23)(H,19,22)
InChIKeyWNIKVMNUKSLNEV-UHFFFAOYSA-N
XLogP0.67
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
CID 99434343
N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99434082
4-oxo-N-pent-4-ynyl-3H-phthalazine-1-carboxamide
CID 103708902
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
4-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167744195
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95329398
N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27847901
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 103767680
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119545241
4-oxo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3H-phthalazine-1-carboxamide
CID 45352469
N-[2-(methylsulfamoyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 102685137
N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24683439

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide (CID 46598237) is 4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide is O=C(NCCC(=O)N1CCCC1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide?
The InChIKey is WNIKVMNUKSLNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-13(20-9-3-4-10-20)7-8-17-16(23)14-11-5-1-2-6-12(11)15(22)19-18-14/h1-2,5-6H,3-4,7-10H2,(H,17,23)(H,19,22).
What are the key properties of 4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide?
4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 46598237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).