6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione

C21H14N2O2 — CID 157499085

IUPAC6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione
SMILESO=C1C(Cc2ccc(-c3ccccc3)cc2)=CC(=O)c2ncncc21
InChIInChI=1S/C21H14N2O2/c24-19-11-17(21(25)18-12-22-13-23-20(18)19)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,11-13H,10H2
InChIKeyJHQGPRBJGVPAKP-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.69
Rot. Bonds3

About 6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione

6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione (PubChem CID 157499085) has the molecular formula C21H14N2O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione.

Molecular Properties

Compound Name6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione
PubChem CID157499085
Molecular FormulaC21H14N2O2
Molecular Weight326.36 g/mol
Exact Mass326.11
IUPAC Name6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione
SMILESO=C1C(Cc2ccc(-c3ccccc3)cc2)=CC(=O)c2ncncc21
InChIInChI=1S/C21H14N2O2/c24-19-11-17(21(25)18-12-22-13-23-20(18)19)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,11-13H,10H2
InChIKeyJHQGPRBJGVPAKP-UHFFFAOYSA-N
XLogP3.69
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

6-anilinoquinazoline-5,8-dione
CID 11776927
pyrimido[4,5-g]quinazoline-5,10-dione
CID 151510286
4-hydroxy-5-[(4-phenylphenyl)methyl]cyclohexa-3,5-diene-1,2-dione
CID 51041684
3,5,11,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-one
CID 142739996
6-(4-benzoylanilino)quinazoline-5,8-dione
CID 132547133
ethane;4-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-phenylpyrimidine
CID 90852853
4-bromo-5-(4-phenylphenyl)pyrimidine
CID 105371256
1,4-bis(4-benzylphenyl)benzene
CID 58251041
5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine
CID 102365642
2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one
CID 125492136
4-(4-benzylphenyl)pyridine
CID 174553937
4-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
CID 91166136

Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione?
The IUPAC name of 6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione (CID 157499085) is 6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione.
What is the SMILES notation for 6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione?
The canonical SMILES for 6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione is O=C1C(Cc2ccc(-c3ccccc3)cc2)=CC(=O)c2ncncc21.
What is the InChIKey of 6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione?
The InChIKey is JHQGPRBJGVPAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O2/c24-19-11-17(21(25)18-12-22-13-23-20(18)19)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,11-13H,10H2.
What are the key properties of 6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione?
6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione has a molecular weight of 326.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenylphenyl)methyl]quinazoline-5,8-dione is sourced from PubChem (CID 157499085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).