6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one

C13H16N2O2 — CID 116915592

IUPAC6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(N)CC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H16N2O2/c1-8(14)6-12(16)10-2-4-11-9(7-10)3-5-13(17)15-11/h2,4,7-8H,3,5-6,14H2,1H3,(H,15,17)
InChIKeyUHSXBOAKAYORMB-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.49
Rot. Bonds3

About 6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one

6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116915592) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID116915592
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(N)CC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H16N2O2/c1-8(14)6-12(16)10-2-4-11-9(7-10)3-5-13(17)15-11/h2,4,7-8H,3,5-6,14H2,1H3,(H,15,17)
InChIKeyUHSXBOAKAYORMB-UHFFFAOYSA-N
XLogP1.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 60837196
6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762
N-(2-amino-2-oxoethyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103605877
N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 115271606
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid
CID 82485450
6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 82984767
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 116833046
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119525966

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one (CID 116915592) is 6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one is CC(N)CC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UHSXBOAKAYORMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(14)6-12(16)10-2-4-11-9(7-10)3-5-13(17)15-11/h2,4,7-8H,3,5-6,14H2,1H3,(H,15,17).
What are the key properties of 6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one?
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116915592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).