2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

C22H25N5O2 — CID 1091839

IUPAC2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESc1ccc2c(Nc3ccc(N4CCOCC4)cc3)nc(N3CCOCC3)nc2c1
InChIInChI=1S/C22H25N5O2/c1-2-4-20-19(3-1)21(25-22(24-20)27-11-15-29-16-12-27)23-17-5-7-18(8-6-17)26-9-13-28-14-10-26/h1-8H,9-16H2,(H,23,24,25)
InChIKeyOHNJUBVCPYDMTK-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.05
Rot. Bonds4

About 2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (PubChem CID 1091839) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
PubChem CID1091839
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESc1ccc2c(Nc3ccc(N4CCOCC4)cc3)nc(N3CCOCC3)nc2c1
InChIInChI=1S/C22H25N5O2/c1-2-4-20-19(3-1)21(25-22(24-20)27-11-15-29-16-12-27)23-17-5-7-18(8-6-17)26-9-13-28-14-10-26/h1-8H,9-16H2,(H,23,24,25)
InChIKeyOHNJUBVCPYDMTK-UHFFFAOYSA-N
XLogP3.05
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-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 2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The IUPAC name of 2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (CID 1091839) is 2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is c1ccc2c(Nc3ccc(N4CCOCC4)cc3)nc(N3CCOCC3)nc2c1.
What is the InChIKey of 2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The InChIKey is OHNJUBVCPYDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-4-20-19(3-1)21(25-22(24-20)27-11-15-29-16-12-27)23-17-5-7-18(8-6-17)26-9-13-28-14-10-26/h1-8H,9-16H2,(H,23,24,25).
What are the key properties of 2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine has a molecular weight of 391.48 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 1091839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).