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

C13H16N2O2 — CID 116915356

IUPAC6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(N)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H16N2O2/c1-13(2,14)12(17)9-3-5-10-8(7-9)4-6-11(16)15-10/h3,5,7H,4,6,14H2,1-2H3,(H,15,16)
InChIKeyMIMXPHCMBKEEAQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.49
Rot. Bonds2

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

6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116915356) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID116915356
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(N)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H16N2O2/c1-13(2,14)12(17)9-3-5-10-8(7-9)4-6-11(16)15-10/h3,5,7H,4,6,14H2,1-2H3,(H,15,16)
InChIKeyMIMXPHCMBKEEAQ-UHFFFAOYSA-N
XLogP1.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
7-(2,2-dimethylbutanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 62677640
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
6-(2,6-dichlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160665
3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 102553283
3-amino-2,2,3-trimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 65264946
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
CID 80503823
6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107979594
6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70502328

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one (CID 116915356) is 6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one is CC(C)(N)C(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MIMXPHCMBKEEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,14)12(17)9-3-5-10-8(7-9)4-6-11(16)15-10/h3,5,7H,4,6,14H2,1-2H3,(H,15,16).
What are the key properties of 6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one?
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116915356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).