6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one

C15H19NO — CID 54891238

IUPAC6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(C(C)(C)C)cc2c(=O)c1C
InChIInChI=1S/C15H19NO/c1-9-10(2)16-13-7-6-11(15(3,4)5)8-12(13)14(9)17/h6-8H,1-5H3,(H,16,17)
InChIKeyMJTQZXZOXDHYFY-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.44
Rot. Bonds

About 6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one

6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one (PubChem CID 54891238) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one
PubChem CID54891238
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(C(C)(C)C)cc2c(=O)c1C
InChIInChI=1S/C15H19NO/c1-9-10(2)16-13-7-6-11(15(3,4)5)8-12(13)14(9)17/h6-8H,1-5H3,(H,16,17)
InChIKeyMJTQZXZOXDHYFY-UHFFFAOYSA-N
XLogP3.44
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one?
The IUPAC name of 6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one (CID 54891238) is 6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one is Cc1[nH]c2ccc(C(C)(C)C)cc2c(=O)c1C.
What is the InChIKey of 6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one?
The InChIKey is MJTQZXZOXDHYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-9-10(2)16-13-7-6-11(15(3,4)5)8-12(13)14(9)17/h6-8H,1-5H3,(H,16,17).
What are the key properties of 6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one?
6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one has a molecular weight of 229.32 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 54891238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).