1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one

C22H23FN2O3 — CID 57120742

IUPAC1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2ccc(OCCO)cc2c1Nc1ccc(F)cc1C
InChIInChI=1S/C22H23FN2O3/c1-3-4-21(27)18-13-24-20-8-6-16(28-10-9-26)12-17(20)22(18)25-19-7-5-15(23)11-14(19)2/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,25)
InChIKeyGAFKJTBNMBCRSS-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.78
Rot. Bonds8

About 1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one

1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one (PubChem CID 57120742) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one
PubChem CID57120742
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2ccc(OCCO)cc2c1Nc1ccc(F)cc1C
InChIInChI=1S/C22H23FN2O3/c1-3-4-21(27)18-13-24-20-8-6-16(28-10-9-26)12-17(20)22(18)25-19-7-5-15(23)11-14(19)2/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,25)
InChIKeyGAFKJTBNMBCRSS-UHFFFAOYSA-N
XLogP4.78
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]-2-methylpropan-1-one
CID 57311681
1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one
CID 57023800
1-[4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]quinolin-3-yl]butan-1-one
CID 10387749
ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 1187166
4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide
CID 22170262
[3-butanoyl-4-(2-methylanilino)quinolin-6-yl]methyl benzoate
CID 19923006
4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide
CID 22170322
6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 4053129
4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 7137766
3-butanoyl-4-(4-fluoro-2-methylanilino)-8-[2-(2-hydroxyethoxy)ethoxy]-1H-quinolin-2-one
CID 142628370
ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333887
1-[4-(2,4-dimethoxyanilino)-8-methylquinolin-3-yl]butan-1-one;hydrochloride
CID 21274554

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one?
The IUPAC name of 1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one (CID 57120742) is 1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one.
What is the SMILES notation for 1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one?
The canonical SMILES for 1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one is CCCC(=O)c1cnc2ccc(OCCO)cc2c1Nc1ccc(F)cc1C.
What is the InChIKey of 1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one?
The InChIKey is GAFKJTBNMBCRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-3-4-21(27)18-13-24-20-8-6-16(28-10-9-26)12-17(20)22(18)25-19-7-5-15(23)11-14(19)2/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,25).
What are the key properties of 1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one?
1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one has a molecular weight of 382.44 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoro-2-methylanilino)-6-(2-hydroxyethoxy)quinolin-3-yl]butan-1-one is sourced from PubChem (CID 57120742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).