[2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone

C25H29N3O — CID 5074067

IUPAC[2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2cc(C(=O)N3CC(C)CC(C)C3)c3ccccc3n2)cc1C
InChIInChI=1S/C25H29N3O/c1-16-11-17(2)15-28(14-16)25(29)22-13-24(27-23-8-6-5-7-21(22)23)26-20-10-9-18(3)19(4)12-20/h5-10,12-13,16-17H,11,14-15H2,1-4H3,(H,26,27)
InChIKeyGMQOWTFCWGUZQI-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.71
Rot. Bonds3

About [2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone

[2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 5074067) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID5074067
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name[2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2cc(C(=O)N3CC(C)CC(C)C3)c3ccccc3n2)cc1C
InChIInChI=1S/C25H29N3O/c1-16-11-17(2)15-28(14-16)25(29)22-13-24(27-23-8-6-5-7-21(22)23)26-20-10-9-18(3)19(4)12-20/h5-10,12-13,16-17H,11,14-15H2,1-4H3,(H,26,27)
InChIKeyGMQOWTFCWGUZQI-UHFFFAOYSA-N
XLogP5.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[2-(3,4-dimethylanilino)quinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 3295835
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 1220276
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3,4-dimethylpyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 79179423
(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 106673774
[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3338926
2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 5074065
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
[2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 92760503
2-(4-iodoanilino)quinoline-4-carboxylic acid
CID 43154791
2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
CID 5076484
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 5074067) is [2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone is Cc1ccc(Nc2cc(C(=O)N3CC(C)CC(C)C3)c3ccccc3n2)cc1C.
What is the InChIKey of [2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is GMQOWTFCWGUZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-16-11-17(2)15-28(14-16)25(29)22-13-24(27-23-8-6-5-7-21(22)23)26-20-10-9-18(3)19(4)12-20/h5-10,12-13,16-17H,11,14-15H2,1-4H3,(H,26,27).
What are the key properties of [2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
[2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 387.53 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 5074067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).