5,7-diphenyl-1H-quinazoline-2,4-dione

C20H14N2O2 — CID 53358877

IUPAC5,7-diphenyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2c(-c3ccccc3)cc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C20H14N2O2/c23-19-18-16(14-9-5-2-6-10-14)11-15(13-7-3-1-4-8-13)12-17(18)21-20(24)22-19/h1-12H,(H2,21,22,23,24)
InChIKeyNNKZZXZIFHUHIA-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.55
Rot. Bonds2

About 5,7-diphenyl-1H-quinazoline-2,4-dione

5,7-diphenyl-1H-quinazoline-2,4-dione (PubChem CID 53358877) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5,7-diphenyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5,7-diphenyl-1H-quinazoline-2,4-dione
PubChem CID53358877
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name5,7-diphenyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2c(-c3ccccc3)cc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C20H14N2O2/c23-19-18-16(14-9-5-2-6-10-14)11-15(13-7-3-1-4-8-13)12-17(18)21-20(24)22-19/h1-12H,(H2,21,22,23,24)
InChIKeyNNKZZXZIFHUHIA-UHFFFAOYSA-N
XLogP3.55
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-phenyl-1H-quinazoline-2,4-dione
CID 118641028
2,4-dioxo-6-phenyl-1H-quinazoline-5-sulfonic acid
CID 22642195
1,1'-biphenyl;7,9-dihydro-3H-purine-2,6,8-trione
CID 174945142
7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 10354458
2-fluoro-1,3,5-triphenylbenzene
CID 146653815
5,7-difluoro-1H-quinazoline-2,4-dione
CID 19604393
2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one
CID 166442732
CID 22621363
CID 22621363
6-fluoro-4-phenyl-1H-pyridin-2-one
CID 130912749
1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 67457005
1,3-dihydrobenzimidazol-2-one;zinc
CID 174871541
3-phenyl-1H-1,5-naphthyridin-2-one
CID 12992200

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-1H-quinazoline-2,4-dione?
The IUPAC name of 5,7-diphenyl-1H-quinazoline-2,4-dione (CID 53358877) is 5,7-diphenyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5,7-diphenyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 5,7-diphenyl-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2c(-c3ccccc3)cc(-c3ccccc3)cc2[nH]1.
What is the InChIKey of 5,7-diphenyl-1H-quinazoline-2,4-dione?
The InChIKey is NNKZZXZIFHUHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-19-18-16(14-9-5-2-6-10-14)11-15(13-7-3-1-4-8-13)12-17(18)21-20(24)22-19/h1-12H,(H2,21,22,23,24).
What are the key properties of 5,7-diphenyl-1H-quinazoline-2,4-dione?
5,7-diphenyl-1H-quinazoline-2,4-dione has a molecular weight of 314.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 53358877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).