3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one

C15H19NO2 — CID 116985134

IUPAC3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one
SMILESCC(C)C(CO)c1cc2ccccc2n(C)c1=O
InChIInChI=1S/C15H19NO2/c1-10(2)13(9-17)12-8-11-6-4-5-7-14(11)16(3)15(12)18/h4-8,10,13,17H,9H2,1-3H3
InChIKeyDDNMGYWZABVWKW-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.27
Rot. Bonds3

About 3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one

3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one (PubChem CID 116985134) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one
PubChem CID116985134
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one
SMILESCC(C)C(CO)c1cc2ccccc2n(C)c1=O
InChIInChI=1S/C15H19NO2/c1-10(2)13(9-17)12-8-11-6-4-5-7-14(11)16(3)15(12)18/h4-8,10,13,17H,9H2,1-3H3
InChIKeyDDNMGYWZABVWKW-UHFFFAOYSA-N
XLogP2.27
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one
CID 16641429
3-iodo-1-methylquinolin-2-one
CID 15733001
3-amino-1-methylquinolin-2-one
CID 19417653
3-[1-(hydroxymethyl)cyclopropyl]-1-methylquinolin-2-one
CID 116985117
2-amino-2-(1-methylindol-2-yl)ethanol
CID 55270563
2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol
CID 116985269
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one
CID 91765227
3-[3-(hydroxymethyl)oxetan-3-yl]-1-methylquinolin-2-one
CID 116985128
N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide
CID 101432632
3-(4-aminophenyl)-1-methylquinolin-2-one;ethane
CID 90778369
3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one
CID 84626143

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one?
The IUPAC name of 3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one (CID 116985134) is 3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one.
What is the SMILES notation for 3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one?
The canonical SMILES for 3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one is CC(C)C(CO)c1cc2ccccc2n(C)c1=O.
What is the InChIKey of 3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one?
The InChIKey is DDNMGYWZABVWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(2)13(9-17)12-8-11-6-4-5-7-14(11)16(3)15(12)18/h4-8,10,13,17H,9H2,1-3H3.
What are the key properties of 3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one?
3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one is sourced from PubChem (CID 116985134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).