4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one

C20H25N3O2 — CID 94637107

IUPAC4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one
SMILESCCn1nc(C(=O)N2CCC[C@@H]2C2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C20H25N3O2/c1-2-23-19(24)16-11-6-5-10-15(16)18(21-23)20(25)22-13-7-12-17(22)14-8-3-4-9-14/h5-6,10-11,14,17H,2-4,7-9,12-13H2,1H3/t17-/m1/s1
InChIKeyXUQYPUFPKBEVKQ-QGZVFWFLSA-N
MW339.44 g/mol
LogP3.21
Rot. Bonds3

About 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one

4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one (PubChem CID 94637107) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one.

Molecular Properties

Compound Name4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one
PubChem CID94637107
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one
SMILESCCn1nc(C(=O)N2CCC[C@@H]2C2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C20H25N3O2/c1-2-23-19(24)16-11-6-5-10-15(16)18(21-23)20(25)22-13-7-12-17(22)14-8-3-4-9-14/h5-6,10-11,14,17H,2-4,7-9,12-13H2,1H3/t17-/m1/s1
InChIKeyXUQYPUFPKBEVKQ-QGZVFWFLSA-N
XLogP3.21
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-propylphthalazin-1-one
CID 26008732
2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one
CID 75459961
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 95579846
2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one
CID 56810543
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113
N-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 9462821
4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2-(2-methylpropyl)phthalazin-1-one
CID 9294544
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7190191
3-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 9489671
4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 49071749

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one?
The IUPAC name of 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one (CID 94637107) is 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one.
What is the SMILES notation for 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one?
The canonical SMILES for 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one is CCn1nc(C(=O)N2CCC[C@@H]2C2CCCC2)c2ccccc2c1=O.
What is the InChIKey of 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one?
The InChIKey is XUQYPUFPKBEVKQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-23-19(24)16-11-6-5-10-15(16)18(21-23)20(25)22-13-7-12-17(22)14-8-3-4-9-14/h5-6,10-11,14,17H,2-4,7-9,12-13H2,1H3/t17-/m1/s1.
What are the key properties of 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one?
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one is sourced from PubChem (CID 94637107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).