3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one

C27H20N2O2 — CID 71318579

IUPAC3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one
SMILESCc1ccccc1Oc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H20N2O2/c1-19-9-5-8-14-25(19)31-22-17-15-21(16-18-22)29-26(20-10-3-2-4-11-20)28-24-13-7-6-12-23(24)27(29)30/h2-18H,1H3
InChIKeyJCDALIFPFDBZDG-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.15
Rot. Bonds4

About 3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one

3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one (PubChem CID 71318579) has the molecular formula C27H20N2O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one
PubChem CID71318579
Molecular FormulaC27H20N2O2
Molecular Weight404.47 g/mol
Exact Mass404.15
IUPAC Name3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one
SMILESCc1ccccc1Oc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H20N2O2/c1-19-9-5-8-14-25(19)31-22-17-15-21(16-18-22)29-26(20-10-3-2-4-11-20)28-24-13-7-6-12-23(24)27(29)30/h2-18H,1H3
InChIKeyJCDALIFPFDBZDG-UHFFFAOYSA-N
XLogP6.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
3-(4-nitrophenyl)-2-phenylquinazolin-4-one
CID 921318
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
2-[3,5-bis(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one
CID 157300729
3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one
CID 91398896

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one (CID 71318579) is 3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one is Cc1ccccc1Oc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one?
The InChIKey is JCDALIFPFDBZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O2/c1-19-9-5-8-14-25(19)31-22-17-15-21(16-18-22)29-26(20-10-3-2-4-11-20)28-24-13-7-6-12-23(24)27(29)30/h2-18H,1H3.
What are the key properties of 3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one?
3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one has a molecular weight of 404.47 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one is sourced from PubChem (CID 71318579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).