1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

C18H20N2O3 — CID 135002891

IUPAC1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)C(N1CCCC1=O)C[C@@H](c1ccco1)N2
InChIInChI=1S/C18H20N2O3/c1-22-12-6-7-14-13(10-12)16(20-8-2-5-18(20)21)11-15(19-14)17-4-3-9-23-17/h3-4,6-7,9-10,15-16,19H,2,5,8,11H2,1H3/t15-,16?/m0/s1
InChIKeyAAGLRIWJFDBFIN-VYRBHSGPSA-N
MW312.37 g/mol
LogP3.51
Rot. Bonds3

About 1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (PubChem CID 135002891) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
PubChem CID135002891
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)C(N1CCCC1=O)C[C@@H](c1ccco1)N2
InChIInChI=1S/C18H20N2O3/c1-22-12-6-7-14-13(10-12)16(20-8-2-5-18(20)21)11-15(19-14)17-4-3-9-23-17/h3-4,6-7,9-10,15-16,19H,2,5,8,11H2,1H3/t15-,16?/m0/s1
InChIKeyAAGLRIWJFDBFIN-VYRBHSGPSA-N
XLogP3.51
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (CID 135002891) is 1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is COc1ccc2c(c1)C(N1CCCC1=O)C[C@@H](c1ccco1)N2.
What is the InChIKey of 1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The InChIKey is AAGLRIWJFDBFIN-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-12-6-7-14-13(10-12)16(20-8-2-5-18(20)21)11-15(19-14)17-4-3-9-23-17/h3-4,6-7,9-10,15-16,19H,2,5,8,11H2,1H3/t15-,16?/m0/s1.
What are the key properties of 1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one has a molecular weight of 312.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 135002891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).