2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one

C15H19NO — CID 62913487

IUPAC2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(C)c(C(C)C)c(=O)c2c1
InChIInChI=1S/C15H19NO/c1-8(2)13-11(5)16-14-10(4)6-9(3)7-12(14)15(13)17/h6-8H,1-5H3,(H,16,17)
InChIKeyOPTYQSKLFUGUCG-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.58
Rot. Bonds1

About 2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one

2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one (PubChem CID 62913487) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one
PubChem CID62913487
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(C)c(C(C)C)c(=O)c2c1
InChIInChI=1S/C15H19NO/c1-8(2)13-11(5)16-14-10(4)6-9(3)7-12(14)15(13)17/h6-8H,1-5H3,(H,16,17)
InChIKeyOPTYQSKLFUGUCG-UHFFFAOYSA-N
XLogP3.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one?
The IUPAC name of 2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one (CID 62913487) is 2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one.
What is the SMILES notation for 2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one?
The canonical SMILES for 2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one is Cc1cc(C)c2[nH]c(C)c(C(C)C)c(=O)c2c1.
What is the InChIKey of 2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one?
The InChIKey is OPTYQSKLFUGUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-8(2)13-11(5)16-14-10(4)6-9(3)7-12(14)15(13)17/h6-8H,1-5H3,(H,16,17).
What are the key properties of 2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one?
2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one has a molecular weight of 229.32 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one is sourced from PubChem (CID 62913487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).