1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one

C15H21NO — CID 18713485

IUPAC1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one
SMILESCc1c(C)c(C)c2c(c1C)C(=O)CC(C)N2C
InChIInChI=1S/C15H21NO/c1-8-7-13(17)14-11(4)9(2)10(3)12(5)15(14)16(8)6/h8H,7H2,1-6H3
InChIKeyXPFADTJZQLZPNA-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.33
Rot. Bonds

About 1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one

1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one (PubChem CID 18713485) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one
PubChem CID18713485
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one
SMILESCc1c(C)c(C)c2c(c1C)C(=O)CC(C)N2C
InChIInChI=1S/C15H21NO/c1-8-7-13(17)14-11(4)9(2)10(3)12(5)15(14)16(8)6/h8H,7H2,1-6H3
InChIKeyXPFADTJZQLZPNA-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one (CID 18713485) is 1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one is Cc1c(C)c(C)c2c(c1C)C(=O)CC(C)N2C.
What is the InChIKey of 1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one?
The InChIKey is XPFADTJZQLZPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-8-7-13(17)14-11(4)9(2)10(3)12(5)15(14)16(8)6/h8H,7H2,1-6H3.
What are the key properties of 1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one?
1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one has a molecular weight of 231.34 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 18713485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).