1,3,3,4,4-pentamethylquinolin-2-one

C14H19NO — CID 57425073

IUPAC1,3,3,4,4-pentamethylquinolin-2-one
SMILESCN1C(=O)C(C)(C)C(C)(C)c2ccccc21
InChIInChI=1S/C14H19NO/c1-13(2)10-8-6-7-9-11(10)15(5)12(16)14(13,3)4/h6-9H,1-5H3
InChIKeyZHQQVANLJMMNGW-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.97
Rot. Bonds

About 1,3,3,4,4-pentamethylquinolin-2-one

1,3,3,4,4-pentamethylquinolin-2-one (PubChem CID 57425073) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1,3,3,4,4-pentamethylquinolin-2-one.

Molecular Properties

Compound Name1,3,3,4,4-pentamethylquinolin-2-one
PubChem CID57425073
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1,3,3,4,4-pentamethylquinolin-2-one
SMILESCN1C(=O)C(C)(C)C(C)(C)c2ccccc21
InChIInChI=1S/C14H19NO/c1-13(2)10-8-6-7-9-11(10)15(5)12(16)14(13,3)4/h6-9H,1-5H3
InChIKeyZHQQVANLJMMNGW-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4-pentamethylquinolin-2-one?
The IUPAC name of 1,3,3,4,4-pentamethylquinolin-2-one (CID 57425073) is 1,3,3,4,4-pentamethylquinolin-2-one.
What is the SMILES notation for 1,3,3,4,4-pentamethylquinolin-2-one?
The canonical SMILES for 1,3,3,4,4-pentamethylquinolin-2-one is CN1C(=O)C(C)(C)C(C)(C)c2ccccc21.
What is the InChIKey of 1,3,3,4,4-pentamethylquinolin-2-one?
The InChIKey is ZHQQVANLJMMNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-13(2)10-8-6-7-9-11(10)15(5)12(16)14(13,3)4/h6-9H,1-5H3.
What are the key properties of 1,3,3,4,4-pentamethylquinolin-2-one?
1,3,3,4,4-pentamethylquinolin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4-pentamethylquinolin-2-one is sourced from PubChem (CID 57425073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).