3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine

C26H33N5O — CID 25204039

IUPAC3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine
SMILESCN1CCN(c2ccc(-c3cnc4ccccc4c3NCCN3CCOCC3)cc2)CC1
InChIInChI=1S/C26H33N5O/c1-29-12-14-31(15-13-29)22-8-6-21(7-9-22)24-20-28-25-5-3-2-4-23(25)26(24)27-10-11-30-16-18-32-19-17-30/h2-9,20H,10-19H2,1H3,(H,27,28)
InChIKeyQKCLEJBUEARVDV-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.40
Rot. Bonds6

About 3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine

3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine (PubChem CID 25204039) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine
PubChem CID25204039
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine
SMILESCN1CCN(c2ccc(-c3cnc4ccccc4c3NCCN3CCOCC3)cc2)CC1
InChIInChI=1S/C26H33N5O/c1-29-12-14-31(15-13-29)22-8-6-21(7-9-22)24-20-28-25-5-3-2-4-23(25)26(24)27-10-11-30-16-18-32-19-17-30/h2-9,20H,10-19H2,1H3,(H,27,28)
InChIKeyQKCLEJBUEARVDV-UHFFFAOYSA-N
XLogP3.40
TPSA43.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine 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 3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine (CID 25204039) is 3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine is CN1CCN(c2ccc(-c3cnc4ccccc4c3NCCN3CCOCC3)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
The InChIKey is QKCLEJBUEARVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-29-12-14-31(15-13-29)22-8-6-21(7-9-22)24-20-28-25-5-3-2-4-23(25)26(24)27-10-11-30-16-18-32-19-17-30/h2-9,20H,10-19H2,1H3,(H,27,28).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine has a molecular weight of 431.58 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine is sourced from PubChem (CID 25204039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).