5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline

C23H27N3O — CID 24865538

IUPAC5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline
SMILESCc1ccc2c(OCCN3CCN(Cc4ccccc4)CC3)cccc2n1
InChIInChI=1S/C23H27N3O/c1-19-10-11-21-22(24-19)8-5-9-23(21)27-17-16-25-12-14-26(15-13-25)18-20-6-3-2-4-7-20/h2-11H,12-18H2,1H3
InChIKeyNELMSVTWQFLKAL-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.74
Rot. Bonds6

About 5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline

5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline (PubChem CID 24865538) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline.

Molecular Properties

Compound Name5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline
PubChem CID24865538
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline
SMILESCc1ccc2c(OCCN3CCN(Cc4ccccc4)CC3)cccc2n1
InChIInChI=1S/C23H27N3O/c1-19-10-11-21-22(24-19)8-5-9-23(21)27-17-16-25-12-14-26(15-13-25)18-20-6-3-2-4-7-20/h2-11H,12-18H2,1H3
InChIKeyNELMSVTWQFLKAL-UHFFFAOYSA-N
XLogP3.74
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline?
The IUPAC name of 5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline (CID 24865538) is 5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline.
What is the SMILES notation for 5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline?
The canonical SMILES for 5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline is Cc1ccc2c(OCCN3CCN(Cc4ccccc4)CC3)cccc2n1.
What is the InChIKey of 5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline?
The InChIKey is NELMSVTWQFLKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-19-10-11-21-22(24-19)8-5-9-23(21)27-17-16-25-12-14-26(15-13-25)18-20-6-3-2-4-7-20/h2-11H,12-18H2,1H3.
What are the key properties of 5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline?
5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline has a molecular weight of 361.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-benzylpiperazin-1-yl)ethoxy]-2-methylquinoline is sourced from PubChem (CID 24865538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).