3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile

C14H17N3O — CID 116940387

IUPAC3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile
SMILESCC(C)(C#N)C(N)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H17N3O/c1-14(2,8-15)13(16)10-3-5-11-9(7-10)4-6-12(18)17-11/h3,5,7,13H,4,6,16H2,1-2H3,(H,17,18)
InChIKeyNUENUGQMRIGFHH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.12
Rot. Bonds2

About 3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile

3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile (PubChem CID 116940387) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile
PubChem CID116940387
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile
SMILESCC(C)(C#N)C(N)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H17N3O/c1-14(2,8-15)13(16)10-3-5-11-9(7-10)4-6-12(18)17-11/h3,5,7,13H,4,6,16H2,1-2H3,(H,17,18)
InChIKeyNUENUGQMRIGFHH-UHFFFAOYSA-N
XLogP2.12
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile
CID 116851011
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile
CID 116940358
6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one
CID 61095920
2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile
CID 115129137
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide
CID 116845764
6-[amino-(5-bromo-2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65308230
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[amino-(5-bromo-4-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79981205
3-amino-2,2-dimethyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanenitrile
CID 116940419
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile?
The IUPAC name of 3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile (CID 116940387) is 3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile.
What is the SMILES notation for 3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile?
The canonical SMILES for 3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile is CC(C)(C#N)C(N)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile?
The InChIKey is NUENUGQMRIGFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,8-15)13(16)10-3-5-11-9(7-10)4-6-12(18)17-11/h3,5,7,13H,4,6,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile?
3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile has a molecular weight of 243.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile is sourced from PubChem (CID 116940387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).