4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one

C14H19NO2 — CID 89475244

IUPAC4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one
SMILESCC(=O)CCC1C(O)Nc2ccccc2C1C
InChIInChI=1S/C14H19NO2/c1-9(16)7-8-12-10(2)11-5-3-4-6-13(11)15-14(12)17/h3-6,10,12,14-15,17H,7-8H2,1-2H3
InChIKeyPIXVMCBWRKOSSL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.52
Rot. Bonds3

About 4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one

4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one (PubChem CID 89475244) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one
PubChem CID89475244
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one
SMILESCC(=O)CCC1C(O)Nc2ccccc2C1C
InChIInChI=1S/C14H19NO2/c1-9(16)7-8-12-10(2)11-5-3-4-6-13(11)15-14(12)17/h3-6,10,12,14-15,17H,7-8H2,1-2H3
InChIKeyPIXVMCBWRKOSSL-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one?
The IUPAC name of 4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one (CID 89475244) is 4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one.
What is the SMILES notation for 4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one?
The canonical SMILES for 4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one is CC(=O)CCC1C(O)Nc2ccccc2C1C.
What is the InChIKey of 4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one?
The InChIKey is PIXVMCBWRKOSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(16)7-8-12-10(2)11-5-3-4-6-13(11)15-14(12)17/h3-6,10,12,14-15,17H,7-8H2,1-2H3.
What are the key properties of 4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one?
4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one is sourced from PubChem (CID 89475244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).