2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine

C26H30N8O — CID 66572656

IUPAC2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine
SMILESC(=N/Nc1nc(NCCCN2CCOCC2)c2ccccc2n1)\c1nccn1Cc1ccccc1
InChIInChI=1S/C26H30N8O/c1-2-7-21(8-3-1)20-34-14-12-27-24(34)19-29-32-26-30-23-10-5-4-9-22(23)25(31-26)28-11-6-13-33-15-17-35-18-16-33/h1-5,7-10,12,14,19H,6,11,13,15-18,20H2,(H2,28,30,31,32)/b29-19+
InChIKeyDQEYXIUVJLJZQV-VUTHCHCSSA-N
MW470.58 g/mol
LogP3.45
Rot. Bonds10

About 2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine

2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine (PubChem CID 66572656) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is 2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine
PubChem CID66572656
Molecular FormulaC26H30N8O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC Name2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine
SMILESC(=N/Nc1nc(NCCCN2CCOCC2)c2ccccc2n1)\c1nccn1Cc1ccccc1
InChIInChI=1S/C26H30N8O/c1-2-7-21(8-3-1)20-34-14-12-27-24(34)19-29-32-26-30-23-10-5-4-9-22(23)25(31-26)28-11-6-13-33-15-17-35-18-16-33/h1-5,7-10,12,14,19H,6,11,13,15-18,20H2,(H2,28,30,31,32)/b29-19+
InChIKeyDQEYXIUVJLJZQV-VUTHCHCSSA-N
XLogP3.45
TPSA92.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine 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-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine (CID 66572656) is 2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine is C(=N/Nc1nc(NCCCN2CCOCC2)c2ccccc2n1)\c1nccn1Cc1ccccc1.
What is the InChIKey of 2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine?
The InChIKey is DQEYXIUVJLJZQV-VUTHCHCSSA-N. The full InChI is InChI=1S/C26H30N8O/c1-2-7-21(8-3-1)20-34-14-12-27-24(34)19-29-32-26-30-23-10-5-4-9-22(23)25(31-26)28-11-6-13-33-15-17-35-18-16-33/h1-5,7-10,12,14,19H,6,11,13,15-18,20H2,(H2,28,30,31,32)/b29-19+.
What are the key properties of 2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine?
2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine has a molecular weight of 470.58 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-4-N-(3-morpholin-4-ylpropyl)quinazoline-2,4-diamine is sourced from PubChem (CID 66572656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).