6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one

C16H23NO — CID 166091623

IUPAC6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one
SMILESCCC1(C)Cc2cc(C(C)(C)C)ccc2NC1=O
InChIInChI=1S/C16H23NO/c1-6-16(5)10-11-9-12(15(2,3)4)7-8-13(11)17-14(16)18/h7-9H,6,10H2,1-5H3,(H,17,18)
InChIKeyIVVRSSDHGCFISR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.89
Rot. Bonds1

About 6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one

6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one (PubChem CID 166091623) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one
PubChem CID166091623
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one
SMILESCCC1(C)Cc2cc(C(C)(C)C)ccc2NC1=O
InChIInChI=1S/C16H23NO/c1-6-16(5)10-11-9-12(15(2,3)4)7-8-13(11)17-14(16)18/h7-9H,6,10H2,1-5H3,(H,17,18)
InChIKeyIVVRSSDHGCFISR-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one?
The IUPAC name of 6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one (CID 166091623) is 6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one?
The canonical SMILES for 6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one is CCC1(C)Cc2cc(C(C)(C)C)ccc2NC1=O.
What is the InChIKey of 6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one?
The InChIKey is IVVRSSDHGCFISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-6-16(5)10-11-9-12(15(2,3)4)7-8-13(11)17-14(16)18/h7-9H,6,10H2,1-5H3,(H,17,18).
What are the key properties of 6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one?
6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-ethyl-3-methyl-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 166091623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).