[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride

C22H25Cl2N3O2 — CID 120733114

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(C)nc2ccccc12.Cl.Cl
InChIInChI=1S/C22H23N3O2.2ClH/c1-15-13-18(16-7-3-5-9-19(16)24-15)22(26)25-12-11-23-14-20(25)17-8-4-6-10-21(17)27-2;;/h3-10,13,20,23H,11-12,14H2,1-2H3;2*1H
InChIKeyAABOXUZCIZNQIH-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.18
Rot. Bonds3

About [2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride

[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride (PubChem CID 120733114) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
PubChem CID120733114
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(C)nc2ccccc12.Cl.Cl
InChIInChI=1S/C22H23N3O2.2ClH/c1-15-13-18(16-7-3-5-9-19(16)24-15)22(26)25-12-11-23-14-20(25)17-8-4-6-10-21(17)27-2;;/h3-10,13,20,23H,11-12,14H2,1-2H3;2*1H
InChIKeyAABOXUZCIZNQIH-UHFFFAOYSA-N
XLogP4.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 120735305
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride
CID 120753959
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 120880759
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
(2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733241
[2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 110109299
[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 129349791
1H-indazol-4-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733966
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
(4-bromo-2-fluorophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735063

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride (CID 120733114) is [2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride is COc1ccccc1C1CNCCN1C(=O)c1cc(C)nc2ccccc12.Cl.Cl.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride?
The InChIKey is AABOXUZCIZNQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.2ClH/c1-15-13-18(16-7-3-5-9-19(16)24-15)22(26)25-12-11-23-14-20(25)17-8-4-6-10-21(17)27-2;;/h3-10,13,20,23H,11-12,14H2,1-2H3;2*1H.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride?
[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride has a molecular weight of 434.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 120733114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).