3-amino-2-(4-phenylphenyl)quinazolin-4-one

C20H15N3O — CID 176686140

IUPAC3-amino-2-(4-phenylphenyl)quinazolin-4-one
SMILESNn1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C20H15N3O/c21-23-19(22-18-9-5-4-8-17(18)20(23)24)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,21H2
InChIKeyHMLAFTWMNCFWPX-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.44
Rot. Bonds2

About 3-amino-2-(4-phenylphenyl)quinazolin-4-one

3-amino-2-(4-phenylphenyl)quinazolin-4-one (PubChem CID 176686140) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-amino-2-(4-phenylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-(4-phenylphenyl)quinazolin-4-one
PubChem CID176686140
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-amino-2-(4-phenylphenyl)quinazolin-4-one
SMILESNn1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C20H15N3O/c21-23-19(22-18-9-5-4-8-17(18)20(23)24)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,21H2
InChIKeyHMLAFTWMNCFWPX-UHFFFAOYSA-N
XLogP3.44
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(4-bromophenyl)quinazolin-4-one
CID 3604136
3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 176686122
3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one
CID 4583709
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 777426
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one
CID 11245968
3-amino-2-(dichloromethyl)quinazolin-4-one
CID 86167528
3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 71741975
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-phenylphenyl)quinazolin-4-one?
The IUPAC name of 3-amino-2-(4-phenylphenyl)quinazolin-4-one (CID 176686140) is 3-amino-2-(4-phenylphenyl)quinazolin-4-one.
What is the SMILES notation for 3-amino-2-(4-phenylphenyl)quinazolin-4-one?
The canonical SMILES for 3-amino-2-(4-phenylphenyl)quinazolin-4-one is Nn1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O.
What is the InChIKey of 3-amino-2-(4-phenylphenyl)quinazolin-4-one?
The InChIKey is HMLAFTWMNCFWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c21-23-19(22-18-9-5-4-8-17(18)20(23)24)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,21H2.
What are the key properties of 3-amino-2-(4-phenylphenyl)quinazolin-4-one?
3-amino-2-(4-phenylphenyl)quinazolin-4-one has a molecular weight of 313.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-phenylphenyl)quinazolin-4-one is sourced from PubChem (CID 176686140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).