(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate

C22H20N2O3 — CID 56799706

IUPAC(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate
SMILESO=C(OC(C(=O)N1CCCC1)c1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C22H20N2O3/c25-21(24-14-6-7-15-24)20(17-9-2-1-3-10-17)27-22(26)19-18-11-5-4-8-16(18)12-13-23-19/h1-5,8-13,20H,6-7,14-15H2
InChIKeyAQPVMKNSCCYECG-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.76
Rot. Bonds4

About (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate

(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate (PubChem CID 56799706) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate.

Molecular Properties

Compound Name(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate
PubChem CID56799706
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate
SMILESO=C(OC(C(=O)N1CCCC1)c1ccccc1)c1nccc2ccccc12
InChIInChI=1S/C22H20N2O3/c25-21(24-14-6-7-15-24)20(17-9-2-1-3-10-17)27-22(26)19-18-11-5-4-8-16(18)12-13-23-19/h1-5,8-13,20H,6-7,14-15H2
InChIKeyAQPVMKNSCCYECG-UHFFFAOYSA-N
XLogP3.76
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate
CID 9412619
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-oxo-3H-phthalazine-1-carboxylate
CID 42883995
(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone
CID 7697331
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylfuran-3-carboxylate
CID 8515014
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-(acetamidomethyl)benzoate
CID 18199550
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7700584
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7542193
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 42932709
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-sulfamoylbenzoate
CID 27722541

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate?
The IUPAC name of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate (CID 56799706) is (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate.
What is the SMILES notation for (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate?
The canonical SMILES for (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate is O=C(OC(C(=O)N1CCCC1)c1ccccc1)c1nccc2ccccc12.
What is the InChIKey of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate?
The InChIKey is AQPVMKNSCCYECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-21(24-14-6-7-15-24)20(17-9-2-1-3-10-17)27-22(26)19-18-11-5-4-8-16(18)12-13-23-19/h1-5,8-13,20H,6-7,14-15H2.
What are the key properties of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate?
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate is sourced from PubChem (CID 56799706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).