4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine

C21H27N3O2 — CID 127031322

IUPAC4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine
SMILESc1ccc(-c2nc3c(c(OCCCN4CCOCC4)n2)CCCC3)cc1
InChIInChI=1S/C21H27N3O2/c1-2-7-17(8-3-1)20-22-19-10-5-4-9-18(19)21(23-20)26-14-6-11-24-12-15-25-16-13-24/h1-3,7-8H,4-6,9-16H2
InChIKeyKNHZQUKSZRBCDC-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.12
Rot. Bonds6

About 4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine

4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine (PubChem CID 127031322) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine
PubChem CID127031322
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine
SMILESc1ccc(-c2nc3c(c(OCCCN4CCOCC4)n2)CCCC3)cc1
InChIInChI=1S/C21H27N3O2/c1-2-7-17(8-3-1)20-22-19-10-5-4-9-18(19)21(23-20)26-14-6-11-24-12-15-25-16-13-24/h1-3,7-8H,4-6,9-16H2
InChIKeyKNHZQUKSZRBCDC-UHFFFAOYSA-N
XLogP3.12
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine 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 4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine?
The IUPAC name of 4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine (CID 127031322) is 4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine is c1ccc(-c2nc3c(c(OCCCN4CCOCC4)n2)CCCC3)cc1.
What is the InChIKey of 4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine?
The InChIKey is KNHZQUKSZRBCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-7-17(8-3-1)20-22-19-10-5-4-9-18(19)21(23-20)26-14-6-11-24-12-15-25-16-13-24/h1-3,7-8H,4-6,9-16H2.
What are the key properties of 4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine?
4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine has a molecular weight of 353.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propyl]morpholine is sourced from PubChem (CID 127031322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).