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

C11H11N3O — CID 116851011

IUPAC2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile
SMILESN#CC(N)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C11H11N3O/c12-6-9(13)7-1-3-10-8(5-7)2-4-11(15)14-10/h1,3,5,9H,2,4,13H2,(H,14,15)
InChIKeyQGUQXSKANRJXLA-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.09
Rot. Bonds1

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

2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile (PubChem CID 116851011) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile
PubChem CID116851011
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile
SMILESN#CC(N)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C11H11N3O/c12-6-9(13)7-1-3-10-8(5-7)2-4-11(15)14-10/h1,3,5,9H,2,4,13H2,(H,14,15)
InChIKeyQGUQXSKANRJXLA-UHFFFAOYSA-N
XLogP1.09
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile
CID 116940387
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
6-[amino-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43464148
6-[bromo-(3,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107980890
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
6-[amino-(5-bromo-2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65308230
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79685089
6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107950188

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile?
The IUPAC name of 2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile (CID 116851011) is 2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile is N#CC(N)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile?
The InChIKey is QGUQXSKANRJXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-6-9(13)7-1-3-10-8(5-7)2-4-11(15)14-10/h1,3,5,9H,2,4,13H2,(H,14,15).
What are the key properties of 2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile?
2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile has a molecular weight of 201.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile is sourced from PubChem (CID 116851011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).