7-phenyl-3,4-dihydro-1H-quinazolin-2-one

C14H12N2O — CID 139015043

IUPAC7-phenyl-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2ccc(-c3ccccc3)cc2N1
InChIInChI=1S/C14H12N2O/c17-14-15-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16,17)
InChIKeyXKYVTZAQPCSKDM-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.99
Rot. Bonds1

About 7-phenyl-3,4-dihydro-1H-quinazolin-2-one

7-phenyl-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 139015043) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 7-phenyl-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-phenyl-3,4-dihydro-1H-quinazolin-2-one
PubChem CID139015043
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name7-phenyl-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2ccc(-c3ccccc3)cc2N1
InChIInChI=1S/C14H12N2O/c17-14-15-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16,17)
InChIKeyXKYVTZAQPCSKDM-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 7-phenyl-3,4-dihydro-1H-quinazolin-2-one (CID 139015043) is 7-phenyl-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 7-phenyl-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 7-phenyl-3,4-dihydro-1H-quinazolin-2-one is O=C1NCc2ccc(-c3ccccc3)cc2N1.
What is the InChIKey of 7-phenyl-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is XKYVTZAQPCSKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14-15-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16,17).
What are the key properties of 7-phenyl-3,4-dihydro-1H-quinazolin-2-one?
7-phenyl-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 224.26 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 139015043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).