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

C15H17NO2 — CID 10014667

IUPAC4-methoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one
SMILESCOc1c(CC=C(C)C)c(=O)[nH]c2ccccc12
InChIInChI=1S/C15H17NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeySPIWINZXMDJUPE-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.05
Rot. Bonds3

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

4-methoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one (PubChem CID 10014667) 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)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one
PubChem CID10014667
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-methoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one
SMILESCOc1c(CC=C(C)C)c(=O)[nH]c2ccccc12
InChIInChI=1S/C15H17NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeySPIWINZXMDJUPE-UHFFFAOYSA-N
XLogP3.05
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
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)-1H-quinolin-2-one?
The IUPAC name of 4-methoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one (CID 10014667) is 4-methoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-methoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one?
The canonical SMILES for 4-methoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one is COc1c(CC=C(C)C)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-methoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one?
The InChIKey is SPIWINZXMDJUPE-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/h4-8H,9H2,1-3H3,(H,16,17).
What are the key properties of 4-methoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one?
4-methoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one has a molecular weight of 243.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one is sourced from PubChem (CID 10014667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).