2-amino-2-methyl-1-quinolin-7-ylpropan-1-one

C13H14N2O — CID 116560118

IUPAC2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
SMILESCC(C)(N)C(=O)c1ccc2cccnc2c1
InChIInChI=1S/C13H14N2O/c1-13(2,14)12(16)10-6-5-9-4-3-7-15-11(9)8-10/h3-8H,14H2,1-2H3
InChIKeyKPYPMRKLSJDTHZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.15
Rot. Bonds2

About 2-amino-2-methyl-1-quinolin-7-ylpropan-1-one

2-amino-2-methyl-1-quinolin-7-ylpropan-1-one (PubChem CID 116560118) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-amino-2-methyl-1-quinolin-7-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
PubChem CID116560118
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
SMILESCC(C)(N)C(=O)c1ccc2cccnc2c1
InChIInChI=1S/C13H14N2O/c1-13(2,14)12(16)10-6-5-9-4-3-7-15-11(9)8-10/h3-8H,14H2,1-2H3
InChIKeyKPYPMRKLSJDTHZ-UHFFFAOYSA-N
XLogP2.15
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-one
CID 115790857
2-methyl-2-pyrrolidin-1-yl-1-quinolin-7-ylpropan-1-one
CID 81220953
(4-aminophenyl)-quinolin-7-ylmethanone
CID 116548753
(1-aminocyclopentyl)-quinolin-7-ylmethanone
CID 116558749
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
1-quinolin-7-ylprop-2-en-1-one
CID 103453564
4-quinolin-7-ylbenzoic acid
CID 81224662
2-methyl-2-quinolin-7-ylpropanoic acid
CID 81223992
(5-methylfuran-3-yl)-quinolin-7-ylmethanone
CID 115790931
(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone
CID 115790953
quinolin-7-yl quinoline-7-carboxylate
CID 142797869
quinolin-7-yl(1,3-thiazol-4-yl)methanone
CID 81220206

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-quinolin-7-ylpropan-1-one?
The IUPAC name of 2-amino-2-methyl-1-quinolin-7-ylpropan-1-one (CID 116560118) is 2-amino-2-methyl-1-quinolin-7-ylpropan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-quinolin-7-ylpropan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-quinolin-7-ylpropan-1-one is CC(C)(N)C(=O)c1ccc2cccnc2c1.
What is the InChIKey of 2-amino-2-methyl-1-quinolin-7-ylpropan-1-one?
The InChIKey is KPYPMRKLSJDTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-13(2,14)12(16)10-6-5-9-4-3-7-15-11(9)8-10/h3-8H,14H2,1-2H3.
What are the key properties of 2-amino-2-methyl-1-quinolin-7-ylpropan-1-one?
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one has a molecular weight of 214.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-quinolin-7-ylpropan-1-one is sourced from PubChem (CID 116560118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).