1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one

C15H22N2O — CID 16792075

IUPAC1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one
SMILESCC(C)(C)C(N)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-15(2,3)13(16)10-17-12-7-5-4-6-11(12)8-9-14(17)18/h4-7,13H,8-10,16H2,1-3H3
InChIKeyJFGRWDWCHYEISV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.34
Rot. Bonds2

About 1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one

1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one (PubChem CID 16792075) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one
PubChem CID16792075
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one
SMILESCC(C)(C)C(N)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-15(2,3)13(16)10-17-12-7-5-4-6-11(12)8-9-14(17)18/h4-7,13H,8-10,16H2,1-3H3
InChIKeyJFGRWDWCHYEISV-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43165250
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 103934798
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 16790029
1-[2-amino-2-(furan-2-yl)ethyl]-3,4-dihydroquinolin-2-one
CID 16789221
ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate
CID 82778791
2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 64583291
2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 65249399
1-[2-cyclopropyl-2-(ethylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63915018
1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 104747147
1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one
CID 115475527

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one (CID 16792075) is 1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one is CC(C)(C)C(N)CN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one?
The InChIKey is JFGRWDWCHYEISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)13(16)10-17-12-7-5-4-6-11(12)8-9-14(17)18/h4-7,13H,8-10,16H2,1-3H3.
What are the key properties of 1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one?
1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 16792075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).