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

C16H19NO2 — CID 15460082

IUPAC4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
SMILESCOc1c(CC=C(C)C)c(=O)n(C)c2ccccc12
InChIInChI=1S/C16H19NO2/c1-11(2)9-10-13-15(19-4)12-7-5-6-8-14(12)17(3)16(13)18/h5-9H,10H2,1-4H3
InChIKeyOGNDPMMWXRHXND-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.06
Rot. Bonds3

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

4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one (PubChem CID 15460082) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one.

Molecular Properties

Compound Name4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
PubChem CID15460082
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
SMILESCOc1c(CC=C(C)C)c(=O)n(C)c2ccccc12
InChIInChI=1S/C16H19NO2/c1-11(2)9-10-13-15(19-4)12-7-5-6-8-14(12)17(3)16(13)18/h5-9H,10H2,1-4H3
InChIKeyOGNDPMMWXRHXND-UHFFFAOYSA-N
XLogP3.06
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
The IUPAC name of 4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one (CID 15460082) is 4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one.
What is the SMILES notation for 4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
The canonical SMILES for 4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one is COc1c(CC=C(C)C)c(=O)n(C)c2ccccc12.
What is the InChIKey of 4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
The InChIKey is OGNDPMMWXRHXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(2)9-10-13-15(19-4)12-7-5-6-8-14(12)17(3)16(13)18/h5-9H,10H2,1-4H3.
What are the key properties of 4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one?
4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one has a molecular weight of 257.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one is sourced from PubChem (CID 15460082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).