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

C14H18N2O2 — CID 116915723

IUPAC6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(N)CC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H18N2O2/c1-14(2,15)8-12(17)10-3-5-11-9(7-10)4-6-13(18)16-11/h3,5,7H,4,6,8,15H2,1-2H3,(H,16,18)
InChIKeyZFRBFJFPLXSWOQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.88
Rot. Bonds3

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

6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116915723) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID116915723
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(N)CC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H18N2O2/c1-14(2,15)8-12(17)10-3-5-11-9(7-10)4-6-13(18)16-11/h3,5,7H,4,6,8,15H2,1-2H3,(H,16,18)
InChIKeyZFRBFJFPLXSWOQ-UHFFFAOYSA-N
XLogP1.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid
CID 82485450
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
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701750
6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 2801269
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate
CID 13136738
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812376
6-[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 71939820
6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 82984767

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one (CID 116915723) is 6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one is CC(C)(N)CC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZFRBFJFPLXSWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,15)8-12(17)10-3-5-11-9(7-10)4-6-13(18)16-11/h3,5,7H,4,6,8,15H2,1-2H3,(H,16,18).
What are the key properties of 6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one?
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116915723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).