(8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine

C21H19N3 — CID 13170787

IUPAC(8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine
SMILESNc1nc2c(c(-c3ccccc3)n1)CCC/C2=C\c1ccccc1
InChIInChI=1S/C21H19N3/c22-21-23-19(16-10-5-2-6-11-16)18-13-7-12-17(20(18)24-21)14-15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13H2,(H2,22,23,24)/b17-14+
InChIKeyOQSSRGIHNKMGNU-SAPNQHFASA-N
MW313.40 g/mol
LogP4.60
Rot. Bonds2

About (8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine

(8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine (PubChem CID 13170787) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine.

Molecular Properties

Compound Name(8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine
PubChem CID13170787
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name(8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine
SMILESNc1nc2c(c(-c3ccccc3)n1)CCC/C2=C\c1ccccc1
InChIInChI=1S/C21H19N3/c22-21-23-19(16-10-5-2-6-11-16)18-13-7-12-17(20(18)24-21)14-15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13H2,(H2,22,23,24)/b17-14+
InChIKeyOQSSRGIHNKMGNU-SAPNQHFASA-N
XLogP4.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine?
The IUPAC name of (8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine (CID 13170787) is (8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine.
What is the SMILES notation for (8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine?
The canonical SMILES for (8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine is Nc1nc2c(c(-c3ccccc3)n1)CCC/C2=C\c1ccccc1.
What is the InChIKey of (8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine?
The InChIKey is OQSSRGIHNKMGNU-SAPNQHFASA-N. The full InChI is InChI=1S/C21H19N3/c22-21-23-19(16-10-5-2-6-11-16)18-13-7-12-17(20(18)24-21)14-15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13H2,(H2,22,23,24)/b17-14+.
What are the key properties of (8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine?
(8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine has a molecular weight of 313.40 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine is sourced from PubChem (CID 13170787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).