2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline

C26H28N4O — CID 10287730

IUPAC2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline
SMILESCc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
InChIInChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3
InChIKeyRMCSKUADBRROSI-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.29
Rot. Bonds6

About 2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline

2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline (PubChem CID 10287730) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline.

Molecular Properties

Compound Name2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline
PubChem CID10287730
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline
SMILESCc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
InChIInChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3
InChIKeyRMCSKUADBRROSI-UHFFFAOYSA-N
XLogP4.29
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline?
The IUPAC name of 2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline (CID 10287730) is 2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline.
What is the SMILES notation for 2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline?
The canonical SMILES for 2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline is Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1.
What is the InChIKey of 2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline?
The InChIKey is RMCSKUADBRROSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3.
What are the key properties of 2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline?
2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline has a molecular weight of 412.54 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline is sourced from PubChem (CID 10287730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).