4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline

C20H24N4 — CID 143872892

IUPAC4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline
SMILESc1ccc(C2CCCc3c2ncnc3N2CCC3NCC3C2)cc1
InChIInChI=1S/C20H24N4/c1-2-5-14(6-3-1)16-7-4-8-17-19(16)22-13-23-20(17)24-10-9-18-15(12-24)11-21-18/h1-3,5-6,13,15-16,18,21H,4,7-12H2
InChIKeyZLTRQSVEOQAZAT-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.74
Rot. Bonds2

About 4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline

4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 143872892) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline
PubChem CID143872892
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline
SMILESc1ccc(C2CCCc3c2ncnc3N2CCC3NCC3C2)cc1
InChIInChI=1S/C20H24N4/c1-2-5-14(6-3-1)16-7-4-8-17-19(16)22-13-23-20(17)24-10-9-18-15(12-24)11-21-18/h1-3,5-6,13,15-16,18,21H,4,7-12H2
InChIKeyZLTRQSVEOQAZAT-UHFFFAOYSA-N
XLogP2.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline (CID 143872892) is 4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline is c1ccc(C2CCCc3c2ncnc3N2CCC3NCC3C2)cc1.
What is the InChIKey of 4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is ZLTRQSVEOQAZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-2-5-14(6-3-1)16-7-4-8-17-19(16)22-13-23-20(17)24-10-9-18-15(12-24)11-21-18/h1-3,5-6,13,15-16,18,21H,4,7-12H2.
What are the key properties of 4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline?
4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 320.44 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,7-diazabicyclo[4.2.0]octan-3-yl)-8-phenyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 143872892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).