5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline

C25H27N5O — CID 11235335

IUPAC5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline
SMILESCc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1
InChIInChI=1S/C25H27N5O/c1-19-8-9-21-24(28-19)6-3-7-25(21)31-15-14-29-10-12-30(13-11-29)17-20-4-2-5-23-22(20)16-26-18-27-23/h2-9,16,18H,10-15,17H2,1H3
InChIKeyIOBUHJRBMMLWMQ-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.68
Rot. Bonds6

About 5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline

5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline (PubChem CID 11235335) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline.

Molecular Properties

Compound Name5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline
PubChem CID11235335
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline
SMILESCc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1
InChIInChI=1S/C25H27N5O/c1-19-8-9-21-24(28-19)6-3-7-25(21)31-15-14-29-10-12-30(13-11-29)17-20-4-2-5-23-22(20)16-26-18-27-23/h2-9,16,18H,10-15,17H2,1H3
InChIKeyIOBUHJRBMMLWMQ-UHFFFAOYSA-N
XLogP3.68
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline?
The IUPAC name of 5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline (CID 11235335) is 5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline.
What is the SMILES notation for 5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline?
The canonical SMILES for 5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline is Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1.
What is the InChIKey of 5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline?
The InChIKey is IOBUHJRBMMLWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-19-8-9-21-24(28-19)6-3-7-25(21)31-15-14-29-10-12-30(13-11-29)17-20-4-2-5-23-22(20)16-26-18-27-23/h2-9,16,18H,10-15,17H2,1H3.
What are the key properties of 5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline?
5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline has a molecular weight of 413.53 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline is sourced from PubChem (CID 11235335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).