4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one

C11H11NO2 — CID 75837145

IUPAC4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one
SMILESCC1=CC2=NC(=O)C=C(O)C2C(C)=C1
InChIInChI=1S/C11H11NO2/c1-6-3-7(2)11-8(4-6)12-10(14)5-9(11)13/h3-5,11,13H,1-2H3
InChIKeyABEZXMCQIMVLAR-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.93
Rot. Bonds

About 4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one

4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one (PubChem CID 75837145) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one
PubChem CID75837145
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one
SMILESCC1=CC2=NC(=O)C=C(O)C2C(C)=C1
InChIInChI=1S/C11H11NO2/c1-6-3-7(2)11-8(4-6)12-10(14)5-9(11)13/h3-5,11,13H,1-2H3
InChIKeyABEZXMCQIMVLAR-UHFFFAOYSA-N
XLogP1.93
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-4-hydroxy-4aH-quinolin-2-one
CID 76212534
4-hydroxy-7-methoxy-6H-quinolin-2-one
CID 123271967
3-chloro-4-hydroxy-4aH-quinolin-2-one
CID 71302937
4-hydroxy-4aH-quinolin-2-one
CID 71303372
6-bromo-4-hydroxy-4aH-quinolin-2-one
CID 71650441
2-Hydroxy-7-methylquinolin-4(4aH)-one
CID 72218615
4-hydroxy-3-methyl-4aH-quinolin-2-one
CID 72493337
8-hydroxy-4aH-quinolin-2-one
CID 73629614
3-hydroxy-5-methyl-4aH-quinolin-2-one
CID 73801996
3-hydroxy-7-methyl-4aH-quinolin-2-one
CID 74936429
3-hydroxy-4-methyl-4aH-quinolin-2-one
CID 74940671
4-hydroxy-5-methoxy-4aH-quinolin-2-one
CID 75679357

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one?
The IUPAC name of 4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one (CID 75837145) is 4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one?
The canonical SMILES for 4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one is CC1=CC2=NC(=O)C=C(O)C2C(C)=C1.
What is the InChIKey of 4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one?
The InChIKey is ABEZXMCQIMVLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-6-3-7(2)11-8(4-6)12-10(14)5-9(11)13/h3-5,11,13H,1-2H3.
What are the key properties of 4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one?
4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one has a molecular weight of 189.21 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one is sourced from PubChem (CID 75837145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).