4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one

C22H24N2O — CID 165107845

IUPAC4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one
SMILESCc1ccccc1-c1cc(C(=O)CCCN(C)C)c2ccccc2n1
InChIInChI=1S/C22H24N2O/c1-16-9-4-5-10-17(16)21-15-19(22(25)13-8-14-24(2)3)18-11-6-7-12-20(18)23-21/h4-7,9-12,15H,8,13-14H2,1-3H3
InChIKeyZLFKWBOKDGQTCY-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.73
Rot. Bonds6

About 4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one

4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one (PubChem CID 165107845) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one
PubChem CID165107845
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one
SMILESCc1ccccc1-c1cc(C(=O)CCCN(C)C)c2ccccc2n1
InChIInChI=1S/C22H24N2O/c1-16-9-4-5-10-17(16)21-15-19(22(25)13-8-14-24(2)3)18-11-6-7-12-20(18)23-21/h4-7,9-12,15H,8,13-14H2,1-3H3
InChIKeyZLFKWBOKDGQTCY-UHFFFAOYSA-N
XLogP4.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-1-[2-(2,3,4,5,6-pentafluorophenyl)quinolin-4-yl]butan-1-one
CID 160902489
4-(dimethylamino)-1-[2-(3,4,5-trifluorophenyl)quinolin-4-yl]butan-1-one
CID 159340286
4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one
CID 158550391
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride
CID 159047253
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867
N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512118
1-(2-phenylquinolin-4-yl)heptan-1-one
CID 159379638
[4-[2-(2-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 3532742
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 4051739
5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one
CID 59950817

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one?
The IUPAC name of 4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one (CID 165107845) is 4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one.
What is the SMILES notation for 4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one?
The canonical SMILES for 4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one is Cc1ccccc1-c1cc(C(=O)CCCN(C)C)c2ccccc2n1.
What is the InChIKey of 4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one?
The InChIKey is ZLFKWBOKDGQTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-9-4-5-10-17(16)21-15-19(22(25)13-8-14-24(2)3)18-11-6-7-12-20(18)23-21/h4-7,9-12,15H,8,13-14H2,1-3H3.
What are the key properties of 4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one?
4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one has a molecular weight of 332.45 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one is sourced from PubChem (CID 165107845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).