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

C14H17N3O — CID 115129137

IUPAC2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile
SMILESCN(c1ccc2c(c1)CCC(=O)N2)C(C)(C)C#N
InChIInChI=1S/C14H17N3O/c1-14(2,9-15)17(3)11-5-6-12-10(8-11)4-7-13(18)16-12/h5-6,8H,4,7H2,1-3H3,(H,16,18)
InChIKeyYYDDPYOFKUREII-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.31
Rot. Bonds2

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

2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile (PubChem CID 115129137) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile
PubChem CID115129137
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile
SMILESCN(c1ccc2c(c1)CCC(=O)N2)C(C)(C)C#N
InChIInChI=1S/C14H17N3O/c1-14(2,9-15)17(3)11-5-6-12-10(8-11)4-7-13(18)16-12/h5-6,8H,4,7H2,1-3H3,(H,16,18)
InChIKeyYYDDPYOFKUREII-UHFFFAOYSA-N
XLogP2.31
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile
CID 115129107
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231559
6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one
CID 117040900
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883
3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile
CID 116940387
methyl N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamate
CID 115190470
6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82496165
6-[methyl(3-sulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115224727
2-methyl-2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanenitrile
CID 115129171
3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile
CID 115230965
6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 115138025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile?
The IUPAC name of 2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile (CID 115129137) is 2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile?
The canonical SMILES for 2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile is CN(c1ccc2c(c1)CCC(=O)N2)C(C)(C)C#N.
What is the InChIKey of 2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile?
The InChIKey is YYDDPYOFKUREII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,9-15)17(3)11-5-6-12-10(8-11)4-7-13(18)16-12/h5-6,8H,4,7H2,1-3H3,(H,16,18).
What are the key properties of 2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile?
2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile has a molecular weight of 243.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile is sourced from PubChem (CID 115129137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).