2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone

C30H30N4O3 — CID 166179184

IUPAC2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCN(C(=O)COc4cccc(C)c4C)CC3)c2c1
InChIInChI=1S/C30H30N4O3/c1-20-9-10-26-24(16-20)25(17-27(32-26)23-7-5-11-31-18-23)30(36)34-14-12-33(13-15-34)29(35)19-37-28-8-4-6-21(2)22(28)3/h4-11,16-18H,12-15,19H2,1-3H3
InChIKeyTXATWANAXYMUOT-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.59
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone

2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 166179184) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID166179184
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCN(C(=O)COc4cccc(C)c4C)CC3)c2c1
InChIInChI=1S/C30H30N4O3/c1-20-9-10-26-24(16-20)25(17-27(32-26)23-7-5-11-31-18-23)30(36)34-14-12-33(13-15-34)29(35)19-37-28-8-4-6-21(2)22(28)3/h4-11,16-18H,12-15,19H2,1-3H3
InChIKeyTXATWANAXYMUOT-UHFFFAOYSA-N
XLogP4.59
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone
CID 1261440
2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 56522168
(6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 154861494
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4244399
(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1261235
2-(2,3-dimethylphenoxy)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone
CID 108533699
2-(2,3-dimethylphenoxy)-1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546513
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
[2-(3-bromophenyl)-6-methylquinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 2220574
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
1-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 108535733
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(2,3-dimethylphenoxy)ethanone
CID 108535721

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone (CID 166179184) is 2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone is Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCN(C(=O)COc4cccc(C)c4C)CC3)c2c1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is TXATWANAXYMUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-20-9-10-26-24(16-20)25(17-27(32-26)23-7-5-11-31-18-23)30(36)34-14-12-33(13-15-34)29(35)19-37-28-8-4-6-21(2)22(28)3/h4-11,16-18H,12-15,19H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 494.60 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 166179184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).