4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine

C22H22FN3O — CID 45484773

IUPAC4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine
SMILESFc1ccc(C2N=C(N3CCOCC3)NC3=C2CCc2ccccc23)cc1
InChIInChI=1S/C22H22FN3O/c23-17-8-5-16(6-9-17)20-19-10-7-15-3-1-2-4-18(15)21(19)25-22(24-20)26-11-13-27-14-12-26/h1-6,8-9,20H,7,10-14H2,(H,24,25)
InChIKeyOZNDKOIZAIPFGG-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.52
Rot. Bonds1

About 4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine

4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine (PubChem CID 45484773) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine
PubChem CID45484773
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine
SMILESFc1ccc(C2N=C(N3CCOCC3)NC3=C2CCc2ccccc23)cc1
InChIInChI=1S/C22H22FN3O/c23-17-8-5-16(6-9-17)20-19-10-7-15-3-1-2-4-18(15)21(19)25-22(24-20)26-11-13-27-14-12-26/h1-6,8-9,20H,7,10-14H2,(H,24,25)
InChIKeyOZNDKOIZAIPFGG-UHFFFAOYSA-N
XLogP3.52
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]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-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine (CID 45484773) is 4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine is Fc1ccc(C2N=C(N3CCOCC3)NC3=C2CCc2ccccc23)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine?
The InChIKey is OZNDKOIZAIPFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-17-8-5-16(6-9-17)20-19-10-7-15-3-1-2-4-18(15)21(19)25-22(24-20)26-11-13-27-14-12-26/h1-6,8-9,20H,7,10-14H2,(H,24,25).
What are the key properties of 4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine?
4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine has a molecular weight of 363.44 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine is sourced from PubChem (CID 45484773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).