6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride

C11H15ClN2O — CID 131637567

IUPAC6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride
SMILESCC1(C)CC(=O)Nc2ccc(N)cc21.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-11(2)6-10(14)13-9-4-3-7(12)5-8(9)11;/h3-5H,6,12H2,1-2H3,(H,13,14);1H
InChIKeyGUEAZBYTEFPFGE-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.31
Rot. Bonds

About 6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride

6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride (PubChem CID 131637567) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride
PubChem CID131637567
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride
SMILESCC1(C)CC(=O)Nc2ccc(N)cc21.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-11(2)6-10(14)13-9-4-3-7(12)5-8(9)11;/h3-5H,6,12H2,1-2H3,(H,13,14);1H
InChIKeyGUEAZBYTEFPFGE-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride?
The IUPAC name of 6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride (CID 131637567) is 6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride.
What is the SMILES notation for 6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride?
The canonical SMILES for 6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride is CC1(C)CC(=O)Nc2ccc(N)cc21.Cl.
What is the InChIKey of 6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride?
The InChIKey is GUEAZBYTEFPFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-11(2)6-10(14)13-9-4-3-7(12)5-8(9)11;/h3-5H,6,12H2,1-2H3,(H,13,14);1H.
What are the key properties of 6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride?
6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 2.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride is sourced from PubChem (CID 131637567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).