1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one

C23H26N2O5 — CID 10047166

IUPAC1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C23H26N2O5/c1-6-8-17(26)16-13-24-22-15(9-7-10-18(22)28-3)21(16)25-23-19(29-4)11-14(27-2)12-20(23)30-5/h7,9-13H,6,8H2,1-5H3,(H,24,25)
InChIKeyOKKXEJJBBILTPR-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.00
Rot. Bonds9

About 1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one

1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one (PubChem CID 10047166) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one
PubChem CID10047166
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C23H26N2O5/c1-6-8-17(26)16-13-24-22-15(9-7-10-18(22)28-3)21(16)25-23-19(29-4)11-14(27-2)12-20(23)30-5/h7,9-13H,6,8H2,1-5H3,(H,24,25)
InChIKeyOKKXEJJBBILTPR-UHFFFAOYSA-N
XLogP5.00
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one?
The IUPAC name of 1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one (CID 10047166) is 1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one.
What is the SMILES notation for 1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one?
The canonical SMILES for 1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one is CCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one?
The InChIKey is OKKXEJJBBILTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-6-8-17(26)16-13-24-22-15(9-7-10-18(22)28-3)21(16)25-23-19(29-4)11-14(27-2)12-20(23)30-5/h7,9-13H,6,8H2,1-5H3,(H,24,25).
What are the key properties of 1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one?
1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one has a molecular weight of 410.47 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-methoxy-4-(2,4,6-trimethoxyanilino)quinolin-3-yl]butan-1-one is sourced from PubChem (CID 10047166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).