1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one

C21H20N2O2 — CID 139216096

IUPAC1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H]1C[C@@H](c2ccco2)Nc2c1ccc1ccccc21
InChIInChI=1S/C21H20N2O2/c24-20-8-3-11-23(20)18-13-17(19-7-4-12-25-19)22-21-15-6-2-1-5-14(15)9-10-16(18)21/h1-2,4-7,9-10,12,17-18,22H,3,8,11,13H2/t17-,18-/m0/s1
InChIKeyPQKGOOLTANLBAQ-ROUUACIJSA-N
MW332.40 g/mol
LogP4.65
Rot. Bonds2

About 1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one

1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one (PubChem CID 139216096) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one
PubChem CID139216096
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H]1C[C@@H](c2ccco2)Nc2c1ccc1ccccc21
InChIInChI=1S/C21H20N2O2/c24-20-8-3-11-23(20)18-13-17(19-7-4-12-25-19)22-21-15-6-2-1-5-14(15)9-10-16(18)21/h1-2,4-7,9-10,12,17-18,22H,3,8,11,13H2/t17-,18-/m0/s1
InChIKeyPQKGOOLTANLBAQ-ROUUACIJSA-N
XLogP4.65
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 102178991
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-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one
CID 58956839
1-[(2S,4S)-2-(5-nitrofuran-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 139216088
(11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene
CID 6975620
1-[(2S,4S)-6-methoxy-2-phenanthren-9-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 71456666
1-[(4R,10S)-10-(2-oxopyrrolidin-1-yl)-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-yl]pyrrolidin-2-one
CID 27914694
1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 45103334
(11bR)-1,2,5,6,7,11b-hexahydropyrrolo[2,1-a][2]benzazepin-3-one
CID 56956909
(5S)-5-(furan-2-yl)-3,4,5,6-tetrahydro-2H-benzo[a]phenanthridin-1-one
CID 789303

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one (CID 139216096) is 1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one is O=C1CCCN1[C@H]1C[C@@H](c2ccco2)Nc2c1ccc1ccccc21.
What is the InChIKey of 1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one?
The InChIKey is PQKGOOLTANLBAQ-ROUUACIJSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-20-8-3-11-23(20)18-13-17(19-7-4-12-25-19)22-21-15-6-2-1-5-14(15)9-10-16(18)21/h1-2,4-7,9-10,12,17-18,22H,3,8,11,13H2/t17-,18-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one?
1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-(furan-2-yl)-1,2,3,4-tetrahydrobenzo[h]quinolin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 139216096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).