1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one

C22H24N2O2 — CID 10066349

IUPAC1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1CC
InChIInChI=1S/C22H24N2O2/c1-4-9-19(25)17-14-23-22-16(11-8-13-20(22)26-3)21(17)24-18-12-7-6-10-15(18)5-2/h6-8,10-14H,4-5,9H2,1-3H3,(H,23,24)
InChIKeyOSFVSUUFEJIXBO-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.53
Rot. Bonds7

About 1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one

1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one (PubChem CID 10066349) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one
PubChem CID10066349
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1CC
InChIInChI=1S/C22H24N2O2/c1-4-9-19(25)17-14-23-22-16(11-8-13-20(22)26-3)21(17)24-18-12-7-6-10-15(18)5-2/h6-8,10-14H,4-5,9H2,1-3H3,(H,23,24)
InChIKeyOSFVSUUFEJIXBO-UHFFFAOYSA-N
XLogP5.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one?
The IUPAC name of 1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one (CID 10066349) is 1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one.
What is the SMILES notation for 1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one?
The canonical SMILES for 1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one is CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1CC.
What is the InChIKey of 1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one?
The InChIKey is OSFVSUUFEJIXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-4-9-19(25)17-14-23-22-16(11-8-13-20(22)26-3)21(17)24-18-12-7-6-10-15(18)5-2/h6-8,10-14H,4-5,9H2,1-3H3,(H,23,24).
What are the key properties of 1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one?
1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one has a molecular weight of 348.45 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylanilino)-8-methoxyquinolin-3-yl]butan-1-one is sourced from PubChem (CID 10066349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).