[1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C30H35N3O2 — CID 55950320

IUPAC[1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C30H35N3O2/c1-20-10-14-32(15-11-20)29(34)23-12-16-33(17-13-23)30(35)26-19-28(24-9-8-21(2)18-22(24)3)31-27-7-5-4-6-25(26)27/h4-9,18-20,23H,10-17H2,1-3H3
InChIKeyNLBKFXUQFAVXSX-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.63
Rot. Bonds3

About [1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 55950320) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is [1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID55950320
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name[1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C30H35N3O2/c1-20-10-14-32(15-11-20)29(34)23-12-16-33(17-13-23)30(35)26-19-28(24-9-8-21(2)18-22(24)3)31-27-7-5-4-6-25(26)27/h4-9,18-20,23H,10-17H2,1-3H3
InChIKeyNLBKFXUQFAVXSX-UHFFFAOYSA-N
XLogP5.63
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560497
(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119373566
[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)quinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6267807
[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
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4176250
2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
CID 55545860
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3667431
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 56510738

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 55950320) is [1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)c3ccccc3n2)c(C)c1.
What is the InChIKey of [1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is NLBKFXUQFAVXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-20-10-14-32(15-11-20)29(34)23-12-16-33(17-13-23)30(35)26-19-28(24-9-8-21(2)18-22(24)3)31-27-7-5-4-6-25(26)27/h4-9,18-20,23H,10-17H2,1-3H3.
What are the key properties of [1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 469.63 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 55950320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).