1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one

C24H29N3O2 — CID 10023371

IUPAC1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2c(OCCN(C)C)cccc2c1Nc1ccccc1C
InChIInChI=1S/C24H29N3O2/c1-5-9-21(28)19-16-25-24-18(11-8-13-22(24)29-15-14-27(3)4)23(19)26-20-12-7-6-10-17(20)2/h6-8,10-13,16H,5,9,14-15H2,1-4H3,(H,25,26)
InChIKeyDPFFIHPPMICBNG-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.21
Rot. Bonds9

About 1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one

1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one (PubChem CID 10023371) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one
PubChem CID10023371
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2c(OCCN(C)C)cccc2c1Nc1ccccc1C
InChIInChI=1S/C24H29N3O2/c1-5-9-21(28)19-16-25-24-18(11-8-13-22(24)29-15-14-27(3)4)23(19)26-20-12-7-6-10-17(20)2/h6-8,10-13,16H,5,9,14-15H2,1-4H3,(H,25,26)
InChIKeyDPFFIHPPMICBNG-UHFFFAOYSA-N
XLogP5.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzoxiquine
CID 6855
1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
5-fluoro-PB-22
CID 72710774
1-(cyclohexylmethyl)-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71711120
4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 16755780
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
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
Ethyl 6-methoxy-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylate
CID 1272562
(2S)-8-amino-7-fluoro-2-methyl-10-oxo-6-(3-pyridin-2-ylpropylamino)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile
CID 56945119
Ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 709114
Ethyl 1-[6-ethoxy-3-(4-methylbenzoyl)quinolin-4-yl]piperidine-3-carboxylate
CID 16010859

Frequently Asked Questions

What is the IUPAC name of 1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The IUPAC name of 1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one (CID 10023371) is 1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one.
What is the SMILES notation for 1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The canonical SMILES for 1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one is CCCC(=O)c1cnc2c(OCCN(C)C)cccc2c1Nc1ccccc1C.
What is the InChIKey of 1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The InChIKey is DPFFIHPPMICBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-5-9-21(28)19-16-25-24-18(11-8-13-22(24)29-15-14-27(3)4)23(19)26-20-12-7-6-10-17(20)2/h6-8,10-13,16H,5,9,14-15H2,1-4H3,(H,25,26).
What are the key properties of 1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one has a molecular weight of 391.52 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[2-(dimethylamino)ethoxy]-4-(2-methylanilino)quinolin-3-yl]butan-1-one is sourced from PubChem (CID 10023371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).