1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one

C21H21FN2O3 — CID 10451656

IUPAC1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one
SMILESCCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccc(F)cc1C
InChIInChI=1S/C21H21FN2O3/c1-3-18(26)16-12-23-21-15(5-4-6-19(21)27-10-9-25)20(16)24-17-8-7-14(22)11-13(17)2/h4-8,11-12,25H,3,9-10H2,1-2H3,(H,23,24)
InChIKeyDQJBTZYAGJIOEB-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.39
Rot. Bonds7

About 1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one

1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one (PubChem CID 10451656) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one
PubChem CID10451656
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one
SMILESCCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccc(F)cc1C
InChIInChI=1S/C21H21FN2O3/c1-3-18(26)16-12-23-21-15(5-4-6-19(21)27-10-9-25)20(16)24-17-8-7-14(22)11-13(17)2/h4-8,11-12,25H,3,9-10H2,1-2H3,(H,23,24)
InChIKeyDQJBTZYAGJIOEB-UHFFFAOYSA-N
XLogP4.39
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
CID 3081087
1-[8-(2-Hydroxy-ethoxy)-4-o-tolylamino-quinolin-3-yl]-butan-1-one
CID 9887258
4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-hydroxypiperidin-1-yl)quinoline-3-carboxamide
CID 44571307
Nicainoprol
CID 71147
6-Ethoxy-4-(3-morpholin-4-yl-propylamino)-quinoline-3-carboxylic acid ethyl ester
CID 16804582
4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-3-N,3-N-dimethylquinoline-3,8-dicarboxamide
CID 10744240
4-(2,4-Difluorophenylamino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571150
1-[8-(2-Hydroxy-ethoxy)-4-(4-hydroxy-2-methyl-phenylamino)-quinolin-3-yl]-butan-1-one
CID 9821224
3-Butyryl-4-(2-methylphenylamino)-8-(3-dimethylaminopropoxy)quinoline
CID 9931129
3-Butyryl-4-(2-methylphenylamino)-8-(3-piperidinopropoxy)quinoline
CID 9980963
3-Butyryl-4-(2-methylphenylamino)-8-(2-dimethylaminoethoxy)quinoline
CID 10023371
3-Butyryl-4-(4-hydroxy-2-methylphenylamino)-8-fluoroquinoline
CID 10042756

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one?
The IUPAC name of 1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one (CID 10451656) is 1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one is CCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccc(F)cc1C.
What is the InChIKey of 1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one?
The InChIKey is DQJBTZYAGJIOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-3-18(26)16-12-23-21-15(5-4-6-19(21)27-10-9-25)20(16)24-17-8-7-14(22)11-13(17)2/h4-8,11-12,25H,3,9-10H2,1-2H3,(H,23,24).
What are the key properties of 1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one?
1-[4-(4-fluoro-2-methylanilino)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one has a molecular weight of 368.41 g/mol, XLogP of 4.39, 7 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)-8-(2-hydroxyethoxy)quinolin-3-yl]propan-1-one is sourced from PubChem (CID 10451656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).