(6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate

C18H21NO2 — CID 54002032

IUPAC(6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate
SMILESCC=C(C)c1cc(C)c2nc(C)c(C)c(OC(C)=O)c2c1
InChIInChI=1S/C18H21NO2/c1-7-10(2)15-8-11(3)17-16(9-15)18(21-14(6)20)12(4)13(5)19-17/h7-9H,1-6H3
InChIKeyKMGVOWPKPGHZII-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.51
Rot. Bonds2

About (6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate

(6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate (PubChem CID 54002032) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate.

Molecular Properties

Compound Name(6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate
PubChem CID54002032
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate
SMILESCC=C(C)c1cc(C)c2nc(C)c(C)c(OC(C)=O)c2c1
InChIInChI=1S/C18H21NO2/c1-7-10(2)15-8-11(3)17-16(9-15)18(21-14(6)20)12(4)13(5)19-17/h7-9H,1-6H3
InChIKeyKMGVOWPKPGHZII-UHFFFAOYSA-N
XLogP4.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate?
The IUPAC name of (6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate (CID 54002032) is (6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate.
What is the SMILES notation for (6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate?
The canonical SMILES for (6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate is CC=C(C)c1cc(C)c2nc(C)c(C)c(OC(C)=O)c2c1.
What is the InChIKey of (6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate?
The InChIKey is KMGVOWPKPGHZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-7-10(2)15-8-11(3)17-16(9-15)18(21-14(6)20)12(4)13(5)19-17/h7-9H,1-6H3.
What are the key properties of (6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate?
(6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate has a molecular weight of 283.37 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate is sourced from PubChem (CID 54002032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).