1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

C19H19ClN2O — CID 45103334

IUPAC1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H]1C[C@H](c2cccc(Cl)c2)Nc2ccccc21
InChIInChI=1S/C19H19ClN2O/c20-14-6-3-5-13(11-14)17-12-18(22-10-4-9-19(22)23)15-7-1-2-8-16(15)21-17/h1-3,5-8,11,17-18,21H,4,9-10,12H2/t17-,18+/m1/s1
InChIKeyDJZHETDFFGJWFQ-MSOLQXFVSA-N
MW326.83 g/mol
LogP4.56
Rot. Bonds2

About 1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (PubChem CID 45103334) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
PubChem CID45103334
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H]1C[C@H](c2cccc(Cl)c2)Nc2ccccc21
InChIInChI=1S/C19H19ClN2O/c20-14-6-3-5-13(11-14)17-12-18(22-10-4-9-19(22)23)15-7-1-2-8-16(15)21-17/h1-3,5-8,11,17-18,21H,4,9-10,12H2/t17-,18+/m1/s1
InChIKeyDJZHETDFFGJWFQ-MSOLQXFVSA-N
XLogP4.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (CID 45103334) is 1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is O=C1CCCN1[C@H]1C[C@H](c2cccc(Cl)c2)Nc2ccccc21.
What is the InChIKey of 1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The InChIKey is DJZHETDFFGJWFQ-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-14-6-3-5-13(11-14)17-12-18(22-10-4-9-19(22)23)15-7-1-2-8-16(15)21-17/h1-3,5-8,11,17-18,21H,4,9-10,12H2/t17-,18+/m1/s1.
What are the key properties of 1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one has a molecular weight of 326.83 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 45103334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).