1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one

C14H19N3O — CID 3760504

IUPAC1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one
SMILESCC1CC(N2CCCC2=O)c2c(N)cccc2N1
InChIInChI=1S/C14H19N3O/c1-9-8-12(17-7-3-6-13(17)18)14-10(15)4-2-5-11(14)16-9/h2,4-5,9,12,16H,3,6-8,15H2,1H3
InChIKeyTZWOYVQTRTVIIE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.14
Rot. Bonds1

About 1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one

1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one (PubChem CID 3760504) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one
PubChem CID3760504
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one
SMILESCC1CC(N2CCCC2=O)c2c(N)cccc2N1
InChIInChI=1S/C14H19N3O/c1-9-8-12(17-7-3-6-13(17)18)14-10(15)4-2-5-11(14)16-9/h2,4-5,9,12,16H,3,6-8,15H2,1H3
InChIKeyTZWOYVQTRTVIIE-UHFFFAOYSA-N
XLogP2.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 40526644
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
2-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 3724874
1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 102178991
1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one
CID 146092548
2-methyl-2,3-dihydro-1H-indol-4-amine
CID 130045562
2-methyl-4-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275850
2-(2,6-difluorophenyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944389
(11bR)-1,2,5,6,7,11b-hexahydropyrrolo[2,1-a][2]benzazepin-3-one
CID 56956909
1-[6-tert-butyl-2-[(1E)-1-sulfanylbuta-1,3-dien-2-yl]-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 143069958
1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 58956827

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one (CID 3760504) is 1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one is CC1CC(N2CCCC2=O)c2c(N)cccc2N1.
What is the InChIKey of 1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one?
The InChIKey is TZWOYVQTRTVIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-8-12(17-7-3-6-13(17)18)14-10(15)4-2-5-11(14)16-9/h2,4-5,9,12,16H,3,6-8,15H2,1H3.
What are the key properties of 1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one?
1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 3760504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).