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

C21H22N2O — CID 10336037

IUPAC1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1C
InChIInChI=1S/C21H22N2O/c1-4-8-19(24)17-13-22-20-15(3)10-7-11-16(20)21(17)23-18-12-6-5-9-14(18)2/h5-7,9-13H,4,8H2,1-3H3,(H,22,23)
InChIKeyOLAJYZOIPNXNDJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.58
Rot. Bonds5

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

1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one (PubChem CID 10336037) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one
PubChem CID10336037
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1C
InChIInChI=1S/C21H22N2O/c1-4-8-19(24)17-13-22-20-15(3)10-7-11-16(20)21(17)23-18-12-6-5-9-14(18)2/h5-7,9-13H,4,8H2,1-3H3,(H,22,23)
InChIKeyOLAJYZOIPNXNDJ-UHFFFAOYSA-N
XLogP5.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methoxyanilino)-8-methylquinolin-3-yl]butan-1-one
CID 10246288
1-[8-(3-hydroxypropyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 10090049
1-[8-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 10384904
1-[8-(1-methoxyethoxy)-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 142628369
bis[2-[3-butanoyl-4-(2-methylanilino)quinolin-8-yl]oxyethyl] carbonate
CID 154825435
bis[2-[3-butanoyl-4-(2-methylanilino)quinolin-8-yl]oxyethyl] propanedioate
CID 67785783
1-[8-amino-4-(2,6-dimethylanilino)quinolin-3-yl]butan-1-one
CID 10449501
1-[4-(2,4-dimethoxyanilino)-8-methylquinolin-3-yl]butan-1-one;hydrochloride
CID 21274554
1-[4-[2-(hydroxymethyl)anilino]-8-methoxyquinolin-3-yl]butan-1-one
CID 10405610
1-[8-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 10342937
1-[4-(2-methylanilino)-8-(3-propylsulfanylpropoxy)quinolin-3-yl]propan-1-one
CID 54548203
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439

Frequently Asked Questions

What is the IUPAC name of 1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The IUPAC name of 1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one (CID 10336037) is 1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one.
What is the SMILES notation for 1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The canonical SMILES for 1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one is CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1C.
What is the InChIKey of 1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The InChIKey is OLAJYZOIPNXNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-4-8-19(24)17-13-22-20-15(3)10-7-11-16(20)21(17)23-18-12-6-5-9-14(18)2/h5-7,9-13H,4,8H2,1-3H3,(H,22,23).
What are the key properties of 1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one has a molecular weight of 318.42 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one is sourced from PubChem (CID 10336037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).