1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

C14H17ClN2O — CID 135002012

IUPAC1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESC[C@@H]1CC(N2CCCC2=O)c2cc(Cl)ccc2N1
InChIInChI=1S/C14H17ClN2O/c1-9-7-13(17-6-2-3-14(17)18)11-8-10(15)4-5-12(11)16-9/h4-5,8-9,13,16H,2-3,6-7H2,1H3/t9-,13?/m1/s1
InChIKeyGHQFYAUBXODWGT-CGCSKFHYSA-N
MW264.76 g/mol
LogP3.21
Rot. Bonds1

About 1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (PubChem CID 135002012) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
PubChem CID135002012
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESC[C@@H]1CC(N2CCCC2=O)c2cc(Cl)ccc2N1
InChIInChI=1S/C14H17ClN2O/c1-9-7-13(17-6-2-3-14(17)18)11-8-10(15)4-5-12(11)16-9/h4-5,8-9,13,16H,2-3,6-7H2,1H3/t9-,13?/m1/s1
InChIKeyGHQFYAUBXODWGT-CGCSKFHYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (CID 135002012) is 1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is C[C@@H]1CC(N2CCCC2=O)c2cc(Cl)ccc2N1.
What is the InChIKey of 1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The InChIKey is GHQFYAUBXODWGT-CGCSKFHYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9-7-13(17-6-2-3-14(17)18)11-8-10(15)4-5-12(11)16-9/h4-5,8-9,13,16H,2-3,6-7H2,1H3/t9-,13?/m1/s1.
What are the key properties of 1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one has a molecular weight of 264.76 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 135002012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).