quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride

C24H29Cl2N3O4 — CID 23045035

IUPACquinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCOc1cc(CN2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc(OC)c1OC.Cl.Cl
InChIInChI=1S/C24H27N3O4.2ClH/c1-29-21-14-17(15-22(30-2)23(21)31-3)16-26-10-12-27(13-11-26)24(28)20-9-8-18-6-4-5-7-19(18)25-20;;/h4-9,14-15H,10-13,16H2,1-3H3;2*1H
InChIKeyVXOZGGQPRDOHSQ-UHFFFAOYSA-N
MW494.42 g/mol
LogP4.06
Rot. Bonds6

About quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride

quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 23045035) has the molecular formula C24H29Cl2N3O4 and a molecular weight of 494.42 g/mol. Its IUPAC name is quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Namequinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
PubChem CID23045035
Molecular FormulaC24H29Cl2N3O4
Molecular Weight494.42 g/mol
Exact Mass493.15
IUPAC Namequinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCOc1cc(CN2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc(OC)c1OC.Cl.Cl
InChIInChI=1S/C24H27N3O4.2ClH/c1-29-21-14-17(15-22(30-2)23(21)31-3)16-26-10-12-27(13-11-26)24(28)20-9-8-18-6-4-5-7-19(18)25-20;;/h4-9,14-15H,10-13,16H2,1-3H3;2*1H
InChIKeyVXOZGGQPRDOHSQ-UHFFFAOYSA-N
XLogP4.06
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

(1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 14676158
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-quinolin-2-ylmethanone
CID 30953204
1-[4-[[4-methoxy-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]oxyphenyl]methyl]piperazin-1-yl]ethanone
CID 28733648
[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 9109587
(6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46957325
[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 90571337
[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 46547011
2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42945115
[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 2023384
phenyl-[4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazin-1-yl]methanone
CID 18546829
(2,6-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 1126126
2-chloro-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 10759766

Frequently Asked Questions

What is the IUPAC name of quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride (CID 23045035) is quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride is COc1cc(CN2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc(OC)c1OC.Cl.Cl.
What is the InChIKey of quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is VXOZGGQPRDOHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4.2ClH/c1-29-21-14-17(15-22(30-2)23(21)31-3)16-26-10-12-27(13-11-26)24(28)20-9-8-18-6-4-5-7-19(18)25-20;;/h4-9,14-15H,10-13,16H2,1-3H3;2*1H.
What are the key properties of quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride?
quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 494.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 23045035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).