4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one

C15H20N2O2 — CID 81244421

IUPAC4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one
SMILESCC(CCO)CNc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-11(7-8-18)10-16-13-9-15(19)17(2)14-6-4-3-5-12(13)14/h3-6,9,11,16,18H,7-8,10H2,1-2H3
InChIKeyAWDGVQFDGYZARY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.97
Rot. Bonds5

About 4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one

4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one (PubChem CID 81244421) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one
PubChem CID81244421
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one
SMILESCC(CCO)CNc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-11(7-8-18)10-16-13-9-15(19)17(2)14-6-4-3-5-12(13)14/h3-6,9,11,16,18H,7-8,10H2,1-2H3
InChIKeyAWDGVQFDGYZARY-UHFFFAOYSA-N
XLogP1.97
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one?
The IUPAC name of 4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one (CID 81244421) is 4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one?
The canonical SMILES for 4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one is CC(CCO)CNc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one?
The InChIKey is AWDGVQFDGYZARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(7-8-18)10-16-13-9-15(19)17(2)14-6-4-3-5-12(13)14/h3-6,9,11,16,18H,7-8,10H2,1-2H3.
What are the key properties of 4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one?
4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2-methylbutyl)amino]-1-methylquinolin-2-one is sourced from PubChem (CID 81244421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).