5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline

C24H29N3O2 — CID 10172853

IUPAC5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline
SMILESCOc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-19-9-10-22-23(25-19)7-4-8-24(22)29-16-15-26-11-13-27(14-12-26)18-20-5-3-6-21(17-20)28-2/h3-10,17H,11-16,18H2,1-2H3
InChIKeyUYVDBUCXEYXDRT-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.75
Rot. Bonds7

About 5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline

5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline (PubChem CID 10172853) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline.

Molecular Properties

Compound Name5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline
PubChem CID10172853
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline
SMILESCOc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-19-9-10-22-23(25-19)7-4-8-24(22)29-16-15-26-11-13-27(14-12-26)18-20-5-3-6-21(17-20)28-2/h3-10,17H,11-16,18H2,1-2H3
InChIKeyUYVDBUCXEYXDRT-UHFFFAOYSA-N
XLogP3.75
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline?
The IUPAC name of 5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline (CID 10172853) is 5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline.
What is the SMILES notation for 5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline?
The canonical SMILES for 5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline is COc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1.
What is the InChIKey of 5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline?
The InChIKey is UYVDBUCXEYXDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-19-9-10-22-23(25-19)7-4-8-24(22)29-16-15-26-11-13-27(14-12-26)18-20-5-3-6-21(17-20)28-2/h3-10,17H,11-16,18H2,1-2H3.
What are the key properties of 5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline?
5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline has a molecular weight of 391.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline is sourced from PubChem (CID 10172853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).