actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one

C15H12AcN2O2 — CID 135999600

IUPACactinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
SMILESCc1cccc(-c2nc3ccc(O)cc3c(=O)[nH]2)c1.[Ac]
InChIInChI=1S/C15H12N2O2.Ac/c1-9-3-2-4-10(7-9)14-16-13-6-5-11(18)8-12(13)15(19)17-14;/h2-8,18H,1H3,(H,16,17,19);
InChIKeyYTSZZPYTOXDSSQ-UHFFFAOYSA-N
MW479.27 g/mol
LogP2.60
Rot. Bonds1

About actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one

actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one (PubChem CID 135999600) has the molecular formula C15H12AcN2O2 and a molecular weight of 479.27 g/mol. Its IUPAC name is actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Nameactinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
PubChem CID135999600
Molecular FormulaC15H12AcN2O2
Molecular Weight479.27 g/mol
Exact Mass479.12
IUPAC Nameactinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
SMILESCc1cccc(-c2nc3ccc(O)cc3c(=O)[nH]2)c1.[Ac]
InChIInChI=1S/C15H12N2O2.Ac/c1-9-3-2-4-10(7-9)14-16-13-6-5-11(18)8-12(13)15(19)17-14;/h2-8,18H,1H3,(H,16,17,19);
InChIKeyYTSZZPYTOXDSSQ-UHFFFAOYSA-N
XLogP2.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one
CID 135999629
2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one
CID 135999605
4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 55217017
6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one
CID 137014833
2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one
CID 135541903
6-acetyl-2-phenyl-3H-quinazolin-4-one
CID 137082893
8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one
CID 155363926
2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3H-quinazolin-4-one
CID 168551652
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
methyl 3-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]benzoate
CID 168552709
6-hydroxy-2-(5-nitrothiophen-3-yl)-3H-quinazolin-4-one
CID 135796482
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323

Frequently Asked Questions

What is the IUPAC name of actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one?
The IUPAC name of actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one (CID 135999600) is actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one is Cc1cccc(-c2nc3ccc(O)cc3c(=O)[nH]2)c1.[Ac].
What is the InChIKey of actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one?
The InChIKey is YTSZZPYTOXDSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2.Ac/c1-9-3-2-4-10(7-9)14-16-13-6-5-11(18)8-12(13)15(19)17-14;/h2-8,18H,1H3,(H,16,17,19);.
What are the key properties of actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one?
actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one has a molecular weight of 479.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135999600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).