2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

C14H13N3O — CID 2772388

IUPAC2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESNc1ncc2c(n1)CC(c1ccccc1)CC2=O
InChIInChI=1S/C14H13N3O/c15-14-16-8-11-12(17-14)6-10(7-13(11)18)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,15,16,17)
InChIKeyQNFZGNPBBNOUBH-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.97
Rot. Bonds1

About 2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2772388) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2772388
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESNc1ncc2c(n1)CC(c1ccccc1)CC2=O
InChIInChI=1S/C14H13N3O/c15-14-16-8-11-12(17-14)6-10(7-13(11)18)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,15,16,17)
InChIKeyQNFZGNPBBNOUBH-UHFFFAOYSA-N
XLogP1.97
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 2772388) is 2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is Nc1ncc2c(n1)CC(c1ccccc1)CC2=O.
What is the InChIKey of 2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is QNFZGNPBBNOUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-14-16-8-11-12(17-14)6-10(7-13(11)18)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,15,16,17).
What are the key properties of 2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 239.28 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2772388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).