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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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).