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

C17H18N2O2 — CID 102178991

IUPAC1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CC(c2ccco2)Nc2ccccc21
InChIInChI=1S/C17H18N2O2/c20-17-8-3-9-19(17)15-11-14(16-7-4-10-21-16)18-13-6-2-1-5-12(13)15/h1-2,4-7,10,14-15,18H,3,8-9,11H2
InChIKeyMHOCCKGJJHPMSM-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.50
Rot. Bonds2

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

1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (PubChem CID 102178991) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
PubChem CID102178991
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CC(c2ccco2)Nc2ccccc21
InChIInChI=1S/C17H18N2O2/c20-17-8-3-9-19(17)15-11-14(16-7-4-10-21-16)18-13-6-2-1-5-12(13)15/h1-2,4-7,10,14-15,18H,3,8-9,11H2
InChIKeyMHOCCKGJJHPMSM-UHFFFAOYSA-N
XLogP3.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 135002891
1-[(2S,4S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 71577760
1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 40526644
1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one
CID 139216096
1-[(2S,4S)-2-(5-nitrofuran-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 139216088
1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 45103334
1-[6-tert-butyl-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 58956578
(2S)-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline
CID 134957787
1-[(2S,4S)-6-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]azepan-2-one
CID 46866851
[4-(2-oxopyrrolidin-1-yl)-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl] thiocyanate
CID 58956734
1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one
CID 11252890
1-[(2S,4S)-6-methoxy-2-phenanthren-9-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 71456666

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (CID 102178991) is 1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CC(c2ccco2)Nc2ccccc21.
What is the InChIKey of 1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The InChIKey is MHOCCKGJJHPMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17-8-3-9-19(17)15-11-14(16-7-4-10-21-16)18-13-6-2-1-5-12(13)15/h1-2,4-7,10,14-15,18H,3,8-9,11H2.
What are the key properties of 1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 102178991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).