(4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C17H23ClN2O2 — CID 125162760

IUPAC(4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](CN2CCc3c(Cl)cccc3C2)CC1=O
InChIInChI=1S/C17H23ClN2O2/c1-22-8-7-20-11-13(9-17(20)21)10-19-6-5-15-14(12-19)3-2-4-16(15)18/h2-4,13H,5-12H2,1H3/t13-/m1/s1
InChIKeyJWEYKNNESMMGGN-CYBMUJFWSA-N
MW322.84 g/mol
LogP2.19
Rot. Bonds5

About (4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 125162760) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is (4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID125162760
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name(4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](CN2CCc3c(Cl)cccc3C2)CC1=O
InChIInChI=1S/C17H23ClN2O2/c1-22-8-7-20-11-13(9-17(20)21)10-19-6-5-15-14(12-19)3-2-4-16(15)18/h2-4,13H,5-12H2,1H3/t13-/m1/s1
InChIKeyJWEYKNNESMMGGN-CYBMUJFWSA-N
XLogP2.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one with MolForge

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Related Compounds

5-[(5-chloro-3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-1-[3-(4-morpholinyl)propyl]-2-piperidinone
CID 24791455
N-(3-chlorobenzyl)-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide
CID 50954900
1-[(5aR,8aS)-7-[(3-chlorophenyl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]ethanone
CID 97420287
1-[(5aR,8aS)-7-[(2-chlorophenyl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]ethanone
CID 97420289
[1-[[2-(3-Chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 134799690
[1-(2-Chlorobenzyl)piperidin-4-yl](pyrrolidin-1-yl)methanone
CID 883957
1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 134800907
[1-[[2-(3-Chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134801371
2-(2-Chloro-6-fluorobenzyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45194316
3-[2-(5-chloro-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-pyrrolidinedione
CID 45203141
1-[3-(5-chloro-3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]azepan-2-one
CID 91777909
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-1-cyclohexylpyrrolidin-3-yl]methanone
CID 164633621

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 125162760) is (4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@@H](CN2CCc3c(Cl)cccc3C2)CC1=O.
What is the InChIKey of (4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is JWEYKNNESMMGGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-22-8-7-20-11-13(9-17(20)21)10-19-6-5-15-14(12-19)3-2-4-16(15)18/h2-4,13H,5-12H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 322.84 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 125162760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).