(4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one

C20H19ClN2O2 — CID 7337143

IUPAC(4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCc2ccccc2C1
InChIInChI=1S/C20H19ClN2O2/c21-17-5-7-18(8-6-17)23-13-16(11-19(23)24)20(25)22-10-9-14-3-1-2-4-15(14)12-22/h1-8,16H,9-13H2/t16-/m0/s1
InChIKeyNNOBLNJPYVDZKL-INIZCTEOSA-N
MW354.84 g/mol
LogP3.28
Rot. Bonds2

About (4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one

(4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one (PubChem CID 7337143) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is (4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
PubChem CID7337143
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name(4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCc2ccccc2C1
InChIInChI=1S/C20H19ClN2O2/c21-17-5-7-18(8-6-17)23-13-16(11-19(23)24)20(25)22-10-9-14-3-1-2-4-15(14)12-22/h1-8,16H,9-13H2/t16-/m0/s1
InChIKeyNNOBLNJPYVDZKL-INIZCTEOSA-N
XLogP3.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 42497316
1-(4-chlorophenyl)-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082169
(4R)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 9350947
(4R)-1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 7337151
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 113186748
4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17082154
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629
(4S)-1-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one
CID 7337159
methyl 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
CID 113189155
1-(4-chlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119563793
1-(4-chlorophenyl)-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 6471738
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 113188501

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one (CID 7337143) is (4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one is O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCc2ccccc2C1.
What is the InChIKey of (4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
The InChIKey is NNOBLNJPYVDZKL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-17-5-7-18(8-6-17)23-13-16(11-19(23)24)20(25)22-10-9-14-3-1-2-4-15(14)12-22/h1-8,16H,9-13H2/t16-/m0/s1.
What are the key properties of (4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
(4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one has a molecular weight of 354.84 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 7337143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).