2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one

C16H10N4O2 — CID 135465251

IUPAC2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2nc3ccccc3c(=O)[nH]2)nc2ccccc12
InChIInChI=1S/C16H10N4O2/c21-15-9-5-1-3-7-11(9)17-13(19-15)14-18-12-8-4-2-6-10(12)16(22)20-14/h1-8H,(H,17,19,21)(H,18,20,22)
InChIKeyPHRSLCCJAHECCV-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.83
Rot. Bonds1

About 2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one

2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one (PubChem CID 135465251) has the molecular formula C16H10N4O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
PubChem CID135465251
Molecular FormulaC16H10N4O2
Molecular Weight290.28 g/mol
Exact Mass290.08
IUPAC Name2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2nc3ccccc3c(=O)[nH]2)nc2ccccc12
InChIInChI=1S/C16H10N4O2/c21-15-9-5-1-3-7-11(9)17-13(19-15)14-18-12-8-4-2-6-10(12)16(22)20-14/h1-8H,(H,17,19,21)(H,18,20,22)
InChIKeyPHRSLCCJAHECCV-UHFFFAOYSA-N
XLogP1.83
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one
CID 137222903
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-(2-cyclopropylphenyl)-3H-quinazolin-4-one
CID 168551670
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
2-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-3H-quinazolin-4-one
CID 165178436
2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
CID 168552737
2-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-3H-quinazolin-4-one
CID 168553277
2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one
CID 168994791

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one (CID 135465251) is 2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one is O=c1[nH]c(-c2nc3ccccc3c(=O)[nH]2)nc2ccccc12.
What is the InChIKey of 2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one?
The InChIKey is PHRSLCCJAHECCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2/c21-15-9-5-1-3-7-11(9)17-13(19-15)14-18-12-8-4-2-6-10(12)16(22)20-14/h1-8H,(H,17,19,21)(H,18,20,22).
What are the key properties of 2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one?
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one has a molecular weight of 290.28 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135465251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).