2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one

C40H26N4O2 — CID 121247434

IUPAC2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4c(=O)n3-c3ccccc3)c2)n1-c1ccccc1
InChIInChI=1S/C40H26N4O2/c45-39-33-20-10-12-22-35(33)41-37(43(39)31-16-6-2-7-17-31)29-24-28(27-14-4-1-5-15-27)25-30(26-29)38-42-36-23-13-11-21-34(36)40(46)44(38)32-18-8-3-9-19-32/h1-26H
InChIKeyHMJGEAARUMIQBE-UHFFFAOYSA-N
MW594.67 g/mol
LogP8.09
Rot. Bonds5

About 2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one

2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one (PubChem CID 121247434) has the molecular formula C40H26N4O2 and a molecular weight of 594.67 g/mol. Its IUPAC name is 2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
PubChem CID121247434
Molecular FormulaC40H26N4O2
Molecular Weight594.67 g/mol
Exact Mass594.21
IUPAC Name2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4c(=O)n3-c3ccccc3)c2)n1-c1ccccc1
InChIInChI=1S/C40H26N4O2/c45-39-33-20-10-12-22-35(33)41-37(43(39)31-16-6-2-7-17-31)29-24-28(27-14-4-1-5-15-27)25-30(26-29)38-42-36-23-13-11-21-34(36)40(46)44(38)32-18-8-3-9-19-32/h1-26H
InChIKeyHMJGEAARUMIQBE-UHFFFAOYSA-N
XLogP8.09
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.67
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247655
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one
CID 102437700
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
3-(4-nitrophenyl)-2-phenylquinazolin-4-one
CID 921318
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one (CID 121247434) is 2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4c(=O)n3-c3ccccc3)c2)n1-c1ccccc1.
What is the InChIKey of 2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one?
The InChIKey is HMJGEAARUMIQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O2/c45-39-33-20-10-12-22-35(33)41-37(43(39)31-16-6-2-7-17-31)29-24-28(27-14-4-1-5-15-27)25-30(26-29)38-42-36-23-13-11-21-34(36)40(46)44(38)32-18-8-3-9-19-32/h1-26H.
What are the key properties of 2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one?
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one has a molecular weight of 594.67 g/mol, XLogP of 8.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 121247434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).