(3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one

C19H15ClN2O — CID 156906649

IUPAC(3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one
SMILESO=C1[C@@H](c2cccc(Cl)c2)CCN1c1cncc2ccccc12
InChIInChI=1S/C19H15ClN2O/c20-15-6-3-5-13(10-15)17-8-9-22(19(17)23)18-12-21-11-14-4-1-2-7-16(14)18/h1-7,10-12,17H,8-9H2/t17-/m1/s1
InChIKeyRNKBROMGPBKNFK-QGZVFWFLSA-N
MW322.80 g/mol
LogP4.41
Rot. Bonds2

About (3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one

(3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one (PubChem CID 156906649) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is (3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one
PubChem CID156906649
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name(3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one
SMILESO=C1[C@@H](c2cccc(Cl)c2)CCN1c1cncc2ccccc12
InChIInChI=1S/C19H15ClN2O/c20-15-6-3-5-13(10-15)17-8-9-22(19(17)23)18-12-21-11-14-4-1-2-7-16(14)18/h1-7,10-12,17H,8-9H2/t17-/m1/s1
InChIKeyRNKBROMGPBKNFK-QGZVFWFLSA-N
XLogP4.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)pyrrolidin-2-one
CID 156907214
(3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 125488196
4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one
CID 168686565
2-isoquinolin-4-yl-3,4-dihydroisoquinolin-1-one
CID 172784232
5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione
CID 166329475
1-benzyl-4-(3-chlorophenyl)piperidin-3-one
CID 141447100
4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one
CID 79960805
6-chloro-3'-isoquinolin-4-ylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 156906822
(3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 98170662
(3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid
CID 40623391
2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
CID 47049591
1-[(4R)-6-chloro-1'-isoquinolin-4-yl-1,2'-dioxospiro[3H-isoquinoline-4,3'-pyrrolidine]-2-yl]-N-methylcyclopropane-1-carboxamide
CID 169423435

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one?
The IUPAC name of (3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one (CID 156906649) is (3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one is O=C1[C@@H](c2cccc(Cl)c2)CCN1c1cncc2ccccc12.
What is the InChIKey of (3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one?
The InChIKey is RNKBROMGPBKNFK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H15ClN2O/c20-15-6-3-5-13(10-15)17-8-9-22(19(17)23)18-12-21-11-14-4-1-2-7-16(14)18/h1-7,10-12,17H,8-9H2/t17-/m1/s1.
What are the key properties of (3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one?
(3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one has a molecular weight of 322.80 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 156906649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).