1-ethenyl-2-methylquinolin-4-one

C12H11NO — CID 3054472

IUPAC1-ethenyl-2-methylquinolin-4-one
SMILESC=Cn1c(C)cc(=O)c2ccccc21
InChIInChI=1S/C12H11NO/c1-3-13-9(2)8-12(14)10-6-4-5-7-11(10)13/h3-8H,1H2,2H3
InChIKeyGZXNQQDHMQUSDN-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.41
Rot. Bonds1

About 1-ethenyl-2-methylquinolin-4-one

1-ethenyl-2-methylquinolin-4-one (PubChem CID 3054472) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-ethenyl-2-methylquinolin-4-one.

Molecular Properties

Compound Name1-ethenyl-2-methylquinolin-4-one
PubChem CID3054472
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1-ethenyl-2-methylquinolin-4-one
SMILESC=Cn1c(C)cc(=O)c2ccccc21
InChIInChI=1S/C12H11NO/c1-3-13-9(2)8-12(14)10-6-4-5-7-11(10)13/h3-8H,1H2,2H3
InChIKeyGZXNQQDHMQUSDN-UHFFFAOYSA-N
XLogP2.41
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methylquinolin-4-one?
The IUPAC name of 1-ethenyl-2-methylquinolin-4-one (CID 3054472) is 1-ethenyl-2-methylquinolin-4-one.
What is the SMILES notation for 1-ethenyl-2-methylquinolin-4-one?
The canonical SMILES for 1-ethenyl-2-methylquinolin-4-one is C=Cn1c(C)cc(=O)c2ccccc21.
What is the InChIKey of 1-ethenyl-2-methylquinolin-4-one?
The InChIKey is GZXNQQDHMQUSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-3-13-9(2)8-12(14)10-6-4-5-7-11(10)13/h3-8H,1H2,2H3.
What are the key properties of 1-ethenyl-2-methylquinolin-4-one?
1-ethenyl-2-methylquinolin-4-one has a molecular weight of 185.23 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methylquinolin-4-one is sourced from PubChem (CID 3054472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).