(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone

C25H27N3O4 — CID 55904206

IUPAC(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc(C)nc4ccc(C)cc34)CC2)c(OC)c1
InChIInChI=1S/C25H27N3O4/c1-16-5-8-22-20(13-16)21(14-17(2)26-22)25(30)28-11-9-27(10-12-28)24(29)19-7-6-18(31-3)15-23(19)32-4/h5-8,13-15H,9-12H2,1-4H3
InChIKeyOZKDDXMNPPJISI-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.47
Rot. Bonds4

About (2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone

(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 55904206) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone
PubChem CID55904206
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc(C)nc4ccc(C)cc34)CC2)c(OC)c1
InChIInChI=1S/C25H27N3O4/c1-16-5-8-22-20(13-16)21(14-17(2)26-22)25(30)28-11-9-27(10-12-28)24(29)19-7-6-18(31-3)15-23(19)32-4/h5-8,13-15H,9-12H2,1-4H3
InChIKeyOZKDDXMNPPJISI-UHFFFAOYSA-N
XLogP3.47
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 42749995
(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 111459532
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 42750008
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42749997
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 124590384
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4244399
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375510
(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 55904204
2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 35614892
[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3369416
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 133124655
(2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18145987

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone (CID 55904206) is (2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)c3cc(C)nc4ccc(C)cc34)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is OZKDDXMNPPJISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-16-5-8-22-20(13-16)21(14-17(2)26-22)25(30)28-11-9-27(10-12-28)24(29)19-7-6-18(31-3)15-23(19)32-4/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 433.51 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55904206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).