[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone

C24H27N3O — CID 119560497

IUPAC[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)CC1
InChIInChI=1S/C24H27N3O/c1-16-8-9-19(17(2)14-16)23-15-21(20-6-4-5-7-22(20)26-23)24(28)27-12-10-18(25-3)11-13-27/h4-9,14-15,18,25H,10-13H2,1-3H3
InChIKeyDEMISEYSGMMNOI-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.34
Rot. Bonds3

About [2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone

[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119560497) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119560497
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)CC1
InChIInChI=1S/C24H27N3O/c1-16-8-9-19(17(2)14-16)23-15-21(20-6-4-5-7-22(20)26-23)24(28)27-12-10-18(25-3)11-13-27/h4-9,14-15,18,25H,10-13H2,1-3H3
InChIKeyDEMISEYSGMMNOI-UHFFFAOYSA-N
XLogP4.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119373566
[1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55950320
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6267807
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119559766
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3667431
[4-[2-(2-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 3532742
2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
CID 55545860
[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563312
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 120804488
N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4176250

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone (CID 119560497) is [2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)CC1.
What is the InChIKey of [2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is DEMISEYSGMMNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-16-8-9-19(17(2)14-16)23-15-21(20-6-4-5-7-22(20)26-23)24(28)27-12-10-18(25-3)11-13-27/h4-9,14-15,18,25H,10-13H2,1-3H3.
What are the key properties of [2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone?
[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119560497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).