(3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone

C23H25N3O3 — CID 133468132

IUPAC(3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccnc4ccc(C)cc34)CC2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-4-6-19-18(14-16)20(8-9-24-19)25-10-12-26(13-11-25)23(27)17-5-7-21(28-2)22(15-17)29-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyZDJIHXVMSXSYAY-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.52
Rot. Bonds4

About (3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone (PubChem CID 133468132) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone
PubChem CID133468132
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccnc4ccc(C)cc34)CC2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-4-6-19-18(14-16)20(8-9-24-19)25-10-12-26(13-11-25)23(27)17-5-7-21(28-2)22(15-17)29-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyZDJIHXVMSXSYAY-UHFFFAOYSA-N
XLogP3.52
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
4-(6,7-dimethoxyquinolin-4-yl)-1,4-diazepane-1-carboxamide
CID 167970486
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
(3,4-dimethoxyphenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 991613
(3,4-dimethoxyphenyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748559
[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 133334317
4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396612
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
1-(6-methylquinolin-4-yl)piperidin-4-ol
CID 133467187
(3,4-dimethoxyphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748322
[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108533494
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone (CID 133468132) is (3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3ccnc4ccc(C)cc34)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone?
The InChIKey is ZDJIHXVMSXSYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-4-6-19-18(14-16)20(8-9-24-19)25-10-12-26(13-11-25)23(27)17-5-7-21(28-2)22(15-17)29-3/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 133468132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).