1-butyl-4,4,8-trimethyl-3H-quinolin-2-one

C16H23NO — CID 90705509

IUPAC1-butyl-4,4,8-trimethyl-3H-quinolin-2-one
SMILESCCCCN1C(=O)CC(C)(C)c2cccc(C)c21
InChIInChI=1S/C16H23NO/c1-5-6-10-17-14(18)11-16(3,4)13-9-7-8-12(2)15(13)17/h7-9H,5-6,10-11H2,1-4H3
InChIKeyOYJXDHZBYSSNRO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.81
Rot. Bonds3

About 1-butyl-4,4,8-trimethyl-3H-quinolin-2-one

1-butyl-4,4,8-trimethyl-3H-quinolin-2-one (PubChem CID 90705509) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-butyl-4,4,8-trimethyl-3H-quinolin-2-one.

Molecular Properties

Compound Name1-butyl-4,4,8-trimethyl-3H-quinolin-2-one
PubChem CID90705509
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-butyl-4,4,8-trimethyl-3H-quinolin-2-one
SMILESCCCCN1C(=O)CC(C)(C)c2cccc(C)c21
InChIInChI=1S/C16H23NO/c1-5-6-10-17-14(18)11-16(3,4)13-9-7-8-12(2)15(13)17/h7-9H,5-6,10-11H2,1-4H3
InChIKeyOYJXDHZBYSSNRO-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4,4,8-trimethyl-3H-quinolin-2-one?
The IUPAC name of 1-butyl-4,4,8-trimethyl-3H-quinolin-2-one (CID 90705509) is 1-butyl-4,4,8-trimethyl-3H-quinolin-2-one.
What is the SMILES notation for 1-butyl-4,4,8-trimethyl-3H-quinolin-2-one?
The canonical SMILES for 1-butyl-4,4,8-trimethyl-3H-quinolin-2-one is CCCCN1C(=O)CC(C)(C)c2cccc(C)c21.
What is the InChIKey of 1-butyl-4,4,8-trimethyl-3H-quinolin-2-one?
The InChIKey is OYJXDHZBYSSNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-6-10-17-14(18)11-16(3,4)13-9-7-8-12(2)15(13)17/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of 1-butyl-4,4,8-trimethyl-3H-quinolin-2-one?
1-butyl-4,4,8-trimethyl-3H-quinolin-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4,4,8-trimethyl-3H-quinolin-2-one is sourced from PubChem (CID 90705509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).