6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one

C11H13ClN2O2 — CID 23064236

IUPAC6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2c(Cl)cc(N)c(O)c21
InChIInChI=1S/C11H13ClN2O2/c1-11(2)4-7(15)14-9-5(12)3-6(13)10(16)8(9)11/h3,16H,4,13H2,1-2H3,(H,14,15)
InChIKeyVHOAOMFJDOIBNF-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.25
Rot. Bonds

About 6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one

6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one (PubChem CID 23064236) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one
PubChem CID23064236
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2c(Cl)cc(N)c(O)c21
InChIInChI=1S/C11H13ClN2O2/c1-11(2)4-7(15)14-9-5(12)3-6(13)10(16)8(9)11/h3,16H,4,13H2,1-2H3,(H,14,15)
InChIKeyVHOAOMFJDOIBNF-UHFFFAOYSA-N
XLogP2.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one (CID 23064236) is 6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one is CC1(C)CC(=O)Nc2c(Cl)cc(N)c(O)c21.
What is the InChIKey of 6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The InChIKey is VHOAOMFJDOIBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-11(2)4-7(15)14-9-5(12)3-6(13)10(16)8(9)11/h3,16H,4,13H2,1-2H3,(H,14,15).
What are the key properties of 6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one?
6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one has a molecular weight of 240.69 g/mol, XLogP of 2.25, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-chloro-5-hydroxy-4,4-dimethyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 23064236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).