8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one

C10H10ClNO2 — CID 68641486

IUPAC8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one
SMILESCC1(Cl)C=CCc2cc(O)c(=O)[nH]c21
InChIInChI=1S/C10H10ClNO2/c1-10(11)4-2-3-6-5-7(13)9(14)12-8(6)10/h2,4-5,13H,3H2,1H3,(H,12,14)
InChIKeyYOSYNOQCWLVTKX-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.65
Rot. Bonds

About 8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one

8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one (PubChem CID 68641486) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one.

Molecular Properties

Compound Name8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one
PubChem CID68641486
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one
SMILESCC1(Cl)C=CCc2cc(O)c(=O)[nH]c21
InChIInChI=1S/C10H10ClNO2/c1-10(11)4-2-3-6-5-7(13)9(14)12-8(6)10/h2,4-5,13H,3H2,1H3,(H,12,14)
InChIKeyYOSYNOQCWLVTKX-UHFFFAOYSA-N
XLogP1.65
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one?
The IUPAC name of 8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one (CID 68641486) is 8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one.
What is the SMILES notation for 8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one?
The canonical SMILES for 8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one is CC1(Cl)C=CCc2cc(O)c(=O)[nH]c21.
What is the InChIKey of 8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one?
The InChIKey is YOSYNOQCWLVTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-10(11)4-2-3-6-5-7(13)9(14)12-8(6)10/h2,4-5,13H,3H2,1H3,(H,12,14).
What are the key properties of 8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one?
8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one has a molecular weight of 211.65 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-hydroxy-8-methyl-1,5-dihydroquinolin-2-one is sourced from PubChem (CID 68641486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).