(4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one

C21H20N2O — CID 2049954

IUPAC(4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one
SMILESO=C1NC2=C(CCC/C2=C/c2ccccc2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C21H20N2O/c24-21-22-19(16-10-5-2-6-11-16)18-13-7-12-17(20(18)23-21)14-15-8-3-1-4-9-15/h1-6,8-11,14,19H,7,12-13H2,(H2,22,23,24)/b17-14-/t19-/m1/s1
InChIKeyNFRZKWYPMCUOCU-RBAUTDOXSA-N
MW316.40 g/mol
LogP4.56
Rot. Bonds2

About (4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one

(4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one (PubChem CID 2049954) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is (4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one.

Molecular Properties

Compound Name(4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one
PubChem CID2049954
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name(4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one
SMILESO=C1NC2=C(CCC/C2=C/c2ccccc2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C21H20N2O/c24-21-22-19(16-10-5-2-6-11-16)18-13-7-12-17(20(18)23-21)14-15-8-3-1-4-9-15/h1-6,8-11,14,19H,7,12-13H2,(H2,22,23,24)/b17-14-/t19-/m1/s1
InChIKeyNFRZKWYPMCUOCU-RBAUTDOXSA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one?
The IUPAC name of (4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one (CID 2049954) is (4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one.
What is the SMILES notation for (4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one?
The canonical SMILES for (4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one is O=C1NC2=C(CCC/C2=C/c2ccccc2)[C@@H](c2ccccc2)N1.
What is the InChIKey of (4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one?
The InChIKey is NFRZKWYPMCUOCU-RBAUTDOXSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21-22-19(16-10-5-2-6-11-16)18-13-7-12-17(20(18)23-21)14-15-8-3-1-4-9-15/h1-6,8-11,14,19H,7,12-13H2,(H2,22,23,24)/b17-14-/t19-/m1/s1.
What are the key properties of (4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one?
(4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one has a molecular weight of 316.40 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one is sourced from PubChem (CID 2049954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).