3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one

C15H17NO3 — CID 131853571

IUPAC3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one
SMILESCOc1c(C(O)C=C(C)C)c(=O)[nH]c2ccccc12
InChIInChI=1S/C15H17NO3/c1-9(2)8-12(17)13-14(19-3)10-6-4-5-7-11(10)16-15(13)18/h4-8,12,17H,1-3H3,(H,16,18)
InChIKeyZGKDHGDLWHWDCA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.54
Rot. Bonds3

About 3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one

3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one (PubChem CID 131853571) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one
PubChem CID131853571
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one
SMILESCOc1c(C(O)C=C(C)C)c(=O)[nH]c2ccccc12
InChIInChI=1S/C15H17NO3/c1-9(2)8-12(17)13-14(19-3)10-6-4-5-7-11(10)16-15(13)18/h4-8,12,17H,1-3H3,(H,16,18)
InChIKeyZGKDHGDLWHWDCA-UHFFFAOYSA-N
XLogP2.54
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-thiophen-3-yl-1H-quinolin-2-one
CID 14001220
4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
CID 54684096
4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one
CID 142438214
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
8,9-dimethoxy-5H-phenanthridin-6-one
CID 12703535
N-cyclopropyl-3-methoxy-1H-indole-2-carboxamide
CID 166192754
3-[(3,3-dimethyloxiran-2-yl)methyl]-4-methoxy-1H-quinolin-2-one
CID 71324136
4-methoxy-9H-carbazol-2-ol
CID 102507386
3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one
CID 141273048
3-methyl-4-propan-2-yl-1H-quinolin-2-one
CID 70906749
4-methoxy-3-methyl-9H-carbazole
CID 169091963
10H-acridin-9-one;ethane
CID 91525380

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one (CID 131853571) is 3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one is COc1c(C(O)C=C(C)C)c(=O)[nH]c2ccccc12.
What is the InChIKey of 3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one?
The InChIKey is ZGKDHGDLWHWDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9(2)8-12(17)13-14(19-3)10-6-4-5-7-11(10)16-15(13)18/h4-8,12,17H,1-3H3,(H,16,18).
What are the key properties of 3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one?
3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one has a molecular weight of 259.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-3-methylbut-2-enyl)-4-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 131853571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).