2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile

C15H19N3O — CID 115129291

IUPAC2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile
SMILESCN1C(=O)CCc2cc(CNC(C)(C)C#N)ccc21
InChIInChI=1S/C15H19N3O/c1-15(2,10-16)17-9-11-4-6-13-12(8-11)5-7-14(19)18(13)3/h4,6,8,17H,5,7,9H2,1-3H3
InChIKeyHAUUYWXLJIDSTH-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.99
Rot. Bonds3

About 2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile

2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile (PubChem CID 115129291) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile
PubChem CID115129291
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile
SMILESCN1C(=O)CCc2cc(CNC(C)(C)C#N)ccc21
InChIInChI=1S/C15H19N3O/c1-15(2,10-16)17-9-11-4-6-13-12(8-11)5-7-14(19)18(13)3/h4,6,8,17H,5,7,9H2,1-3H3
InChIKeyHAUUYWXLJIDSTH-UHFFFAOYSA-N
XLogP1.99
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 82485649
6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116928650
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 82471110
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile
CID 115129260
1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
CID 116932140
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
CID 110781637
6-[[(1-aminocyclopropyl)methylamino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115256654
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide
CID 110781697
2,2-dimethyl-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]propanamide
CID 110788697
5,5-dimethyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]hexanoic acid
CID 174219538
6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82190766

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile?
The IUPAC name of 2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile (CID 115129291) is 2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile?
The canonical SMILES for 2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile is CN1C(=O)CCc2cc(CNC(C)(C)C#N)ccc21.
What is the InChIKey of 2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile?
The InChIKey is HAUUYWXLJIDSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,10-16)17-9-11-4-6-13-12(8-11)5-7-14(19)18(13)3/h4,6,8,17H,5,7,9H2,1-3H3.
What are the key properties of 2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile?
2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile has a molecular weight of 257.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile is sourced from PubChem (CID 115129291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).