3-(2,2-dimethylpropyl)-1-methylquinolin-2-one

C15H19NO — CID 59736944

IUPAC3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(CC(C)(C)C)cc2ccccc21
InChIInChI=1S/C15H19NO/c1-15(2,3)10-12-9-11-7-5-6-8-13(11)16(4)14(12)17/h5-9H,10H2,1-4H3
InChIKeyFPNVZNLIWQKUIY-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.13
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-1-methylquinolin-2-one

3-(2,2-dimethylpropyl)-1-methylquinolin-2-one (PubChem CID 59736944) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
PubChem CID59736944
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(CC(C)(C)C)cc2ccccc21
InChIInChI=1S/C15H19NO/c1-15(2,3)10-12-9-11-7-5-6-8-13(11)16(4)14(12)17/h5-9H,10H2,1-4H3
InChIKeyFPNVZNLIWQKUIY-UHFFFAOYSA-N
XLogP3.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-methylquinolin-2-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-methylquinolin-2-one (CID 59736944) is 3-(2,2-dimethylpropyl)-1-methylquinolin-2-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-methylquinolin-2-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-methylquinolin-2-one is Cn1c(=O)c(CC(C)(C)C)cc2ccccc21.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-methylquinolin-2-one?
The InChIKey is FPNVZNLIWQKUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(2,3)10-12-9-11-7-5-6-8-13(11)16(4)14(12)17/h5-9H,10H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-methylquinolin-2-one?
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-methylquinolin-2-one is sourced from PubChem (CID 59736944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).