(5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one

C14H17N3O2 — CID 103866804

IUPAC(5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
SMILESNc1cccc2c1CCCN2C(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C14H17N3O2/c15-10-4-1-5-12-9(10)3-2-8-17(12)14(19)11-6-7-13(18)16-11/h1,4-5,11H,2-3,6-8,15H2,(H,16,18)/t11-/m1/s1
InChIKeyGNMURKQCWXTTOH-LLVKDONJSA-N
MW259.31 g/mol
LogP0.83
Rot. Bonds1

About (5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one

(5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one (PubChem CID 103866804) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
PubChem CID103866804
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
SMILESNc1cccc2c1CCCN2C(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C14H17N3O2/c15-10-4-1-5-12-9(10)3-2-8-17(12)14(19)11-6-7-13(18)16-11/h1,4-5,11H,2-3,6-8,15H2,(H,16,18)/t11-/m1/s1
InChIKeyGNMURKQCWXTTOH-LLVKDONJSA-N
XLogP0.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.83
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-(5-oxopyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60832350
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 82706528
(5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 129398640
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone
CID 82705671
5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 116658696
5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 110744007
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone
CID 82707005
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one
CID 112706569
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone
CID 82705307
1-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 82705126

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one (CID 103866804) is (5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one is Nc1cccc2c1CCCN2C(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of (5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The InChIKey is GNMURKQCWXTTOH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-10-4-1-5-12-9(10)3-2-8-17(12)14(19)11-6-7-13(18)16-11/h1,4-5,11H,2-3,6-8,15H2,(H,16,18)/t11-/m1/s1.
What are the key properties of (5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
(5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 103866804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).