4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one

C15H17NO2 — CID 54735254

IUPAC4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one
SMILESC=C(C)C(C)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C15H17NO2/c1-9(2)10(3)13-14(17)11-7-5-6-8-12(11)16(4)15(13)18/h5-8,10,17H,1H2,2-4H3
InChIKeyJMBZNSBOSHLXFX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.92
Rot. Bonds2

About 4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one

4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one (PubChem CID 54735254) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one
PubChem CID54735254
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one
SMILESC=C(C)C(C)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C15H17NO2/c1-9(2)10(3)13-14(17)11-7-5-6-8-12(11)16(4)15(13)18/h5-8,10,17H,1H2,2-4H3
InChIKeyJMBZNSBOSHLXFX-UHFFFAOYSA-N
XLogP2.92
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate
CID 54696143
3-[(4-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-4-hydroxy-1-methylquinolin-2-one
CID 54682941
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1-methylquinolin-2-one
CID 136914834
4-hydroxy-3-(N-hydroxy-C-methylcarbonimidoyl)-1-methylquinolin-2-one
CID 135419029
3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
CID 135454306
3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 136774510
3-[N-[(2R)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 136774511
3-tert-butylsulfonyl-4-hydroxy-1-methylquinolin-2-one
CID 54699342
(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 54681675

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one (CID 54735254) is 4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one is C=C(C)C(C)c1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of 4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one?
The InChIKey is JMBZNSBOSHLXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9(2)10(3)13-14(17)11-7-5-6-8-12(11)16(4)15(13)18/h5-8,10,17H,1H2,2-4H3.
What are the key properties of 4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one?
4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-(3-methylbut-3-en-2-yl)quinolin-2-one is sourced from PubChem (CID 54735254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).