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

C15H17NO2 — CID 85093113

IUPAC4-methoxy-3-(3-methylbut-2-enyl)-3H-quinolin-2-one
SMILESCOC1=c2ccccc2=NC(=O)C1CC=C(C)C
InChIInChI=1S/C15H17NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8,12H,9H2,1-3H3
InChIKeyOQQLNKKTWIMULA-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.57
Rot. Bonds3

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

4-methoxy-3-(3-methylbut-2-enyl)-3H-quinolin-2-one (PubChem CID 85093113) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methoxy-3-(3-methylbut-2-enyl)-3H-quinolin-2-one.

Molecular Properties

Compound Name4-methoxy-3-(3-methylbut-2-enyl)-3H-quinolin-2-one
PubChem CID85093113
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-methoxy-3-(3-methylbut-2-enyl)-3H-quinolin-2-one
SMILESCOC1=c2ccccc2=NC(=O)C1CC=C(C)C
InChIInChI=1S/C15H17NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8,12H,9H2,1-3H3
InChIKeyOQQLNKKTWIMULA-UHFFFAOYSA-N
XLogP1.57
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-3-(3-methylbut-2-enyl)-3H-quinolin-2-one?
The IUPAC name of 4-methoxy-3-(3-methylbut-2-enyl)-3H-quinolin-2-one (CID 85093113) is 4-methoxy-3-(3-methylbut-2-enyl)-3H-quinolin-2-one.
What is the SMILES notation for 4-methoxy-3-(3-methylbut-2-enyl)-3H-quinolin-2-one?
The canonical SMILES for 4-methoxy-3-(3-methylbut-2-enyl)-3H-quinolin-2-one is COC1=c2ccccc2=NC(=O)C1CC=C(C)C.
What is the InChIKey of 4-methoxy-3-(3-methylbut-2-enyl)-3H-quinolin-2-one?
The InChIKey is OQQLNKKTWIMULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8,12H,9H2,1-3H3.
What are the key properties of 4-methoxy-3-(3-methylbut-2-enyl)-3H-quinolin-2-one?
4-methoxy-3-(3-methylbut-2-enyl)-3H-quinolin-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methylbut-2-enyl)-3H-quinolin-2-one is sourced from PubChem (CID 85093113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).