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

C22H23N3O — CID 45484798

IUPAC4-(4-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine
SMILESc1ccc(C2N=C(N3CCOCC3)NC3=C2CCc2ccccc23)cc1
InChIInChI=1S/C22H23N3O/c1-2-7-17(8-3-1)20-19-11-10-16-6-4-5-9-18(16)21(19)24-22(23-20)25-12-14-26-15-13-25/h1-9,20H,10-15H2,(H,23,24)
InChIKeyPOTBWXATPSOJCO-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.38
Rot. Bonds1

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

4-(4-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine (PubChem CID 45484798) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(4-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine
PubChem CID45484798
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-(4-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine
SMILESc1ccc(C2N=C(N3CCOCC3)NC3=C2CCc2ccccc23)cc1
InChIInChI=1S/C22H23N3O/c1-2-7-17(8-3-1)20-19-11-10-16-6-4-5-9-18(16)21(19)24-22(23-20)25-12-14-26-15-13-25/h1-9,20H,10-15H2,(H,23,24)
InChIKeyPOTBWXATPSOJCO-UHFFFAOYSA-N
XLogP3.38
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine?
The IUPAC name of 4-(4-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine (CID 45484798) is 4-(4-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine.
What is the SMILES notation for 4-(4-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine?
The canonical SMILES for 4-(4-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine is c1ccc(C2N=C(N3CCOCC3)NC3=C2CCc2ccccc23)cc1.
What is the InChIKey of 4-(4-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine?
The InChIKey is POTBWXATPSOJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-7-17(8-3-1)20-19-11-10-16-6-4-5-9-18(16)21(19)24-22(23-20)25-12-14-26-15-13-25/h1-9,20H,10-15H2,(H,23,24).
What are the key properties of 4-(4-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine?
4-(4-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine has a molecular weight of 345.45 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine is sourced from PubChem (CID 45484798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).