2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one

C24H18N2O — CID 145099401

IUPAC2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one
SMILESC=Cc1ccc(-c2nc3c(-c4ccccc4)cccc3c(=O)[nH]2)cc1C=C
InChIInChI=1S/C24H18N2O/c1-3-16-13-14-19(15-17(16)4-2)23-25-22-20(18-9-6-5-7-10-18)11-8-12-21(22)24(27)26-23/h3-15H,1-2H2,(H,25,26,27)
InChIKeyWLOWPEMCCXZLRH-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.54
Rot. Bonds4

About 2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one

2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one (PubChem CID 145099401) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one
PubChem CID145099401
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one
SMILESC=Cc1ccc(-c2nc3c(-c4ccccc4)cccc3c(=O)[nH]2)cc1C=C
InChIInChI=1S/C24H18N2O/c1-3-16-13-14-19(15-17(16)4-2)23-25-22-20(18-9-6-5-7-10-18)11-8-12-21(22)24(27)26-23/h3-15H,1-2H2,(H,25,26,27)
InChIKeyWLOWPEMCCXZLRH-UHFFFAOYSA-N
XLogP5.54
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-N-(2-naphthalen-2-yl-8-phenylquinazolin-4-yl)propane-1,3-diamine;2-naphthalen-2-yl-8-phenyl-3H-quinazolin-4-one
CID 162216990
2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one
CID 168553073
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
2-(4-oxo-3H-quinazolin-6-yl)-3H-quinazolin-4-one
CID 168553315
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one
CID 168551596
5,13-diphenyl-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9,13-pentaene-7,11-dione
CID 135869738
methyl 3-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]benzoate
CID 168552709
2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one
CID 168552454
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one?
The IUPAC name of 2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one (CID 145099401) is 2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one?
The canonical SMILES for 2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one is C=Cc1ccc(-c2nc3c(-c4ccccc4)cccc3c(=O)[nH]2)cc1C=C.
What is the InChIKey of 2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one?
The InChIKey is WLOWPEMCCXZLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c1-3-16-13-14-19(15-17(16)4-2)23-25-22-20(18-9-6-5-7-10-18)11-8-12-21(22)24(27)26-23/h3-15H,1-2H2,(H,25,26,27).
What are the key properties of 2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one?
2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one has a molecular weight of 350.42 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(ethenyl)phenyl]-8-phenyl-3H-quinazolin-4-one is sourced from PubChem (CID 145099401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).