7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one

C17H12N4O2 — CID 136641811

IUPAC7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-n2cccn2)nc2cc(Oc3ccccc3)ccc12
InChIInChI=1S/C17H12N4O2/c22-16-14-8-7-13(23-12-5-2-1-3-6-12)11-15(14)19-17(20-16)21-10-4-9-18-21/h1-11H,(H,19,20,22)
InChIKeyOMPDDSZPOUEKNP-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.90
Rot. Bonds3

About 7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one

7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one (PubChem CID 136641811) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one
PubChem CID136641811
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-n2cccn2)nc2cc(Oc3ccccc3)ccc12
InChIInChI=1S/C17H12N4O2/c22-16-14-8-7-13(23-12-5-2-1-3-6-12)11-15(14)19-17(20-16)21-10-4-9-18-21/h1-11H,(H,19,20,22)
InChIKeyOMPDDSZPOUEKNP-UHFFFAOYSA-N
XLogP2.90
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 141277498
N-(cyclohexylmethyl)-7-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
CID 66749329
1-[4-oxo-6-(3-phenylphenoxy)-3H-quinazolin-2-yl]pyrazole-4-carboxylic acid
CID 135895281
6-phenoxy-2-phenyl-3H-quinazolin-4-one
CID 166196696
N-tert-butyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
CID 66749636
2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one
CID 135782154
N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
CID 118000652
2-[4-[4-[3-(1-fluoro-1-phosphanylethyl)phenoxy]benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 142555409
2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one
CID 168553065
8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 136633330
5-(4-fluorophenoxy)-2-pyrazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole
CID 141443536
[1-[6-(2,3-dichlorophenoxy)-4-oxo-3H-quinazolin-2-yl]pyrazol-4-yl] hydrogen carbonate
CID 136950174

Frequently Asked Questions

What is the IUPAC name of 7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one?
The IUPAC name of 7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one (CID 136641811) is 7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one.
What is the SMILES notation for 7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one?
The canonical SMILES for 7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one is O=c1[nH]c(-n2cccn2)nc2cc(Oc3ccccc3)ccc12.
What is the InChIKey of 7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one?
The InChIKey is OMPDDSZPOUEKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-16-14-8-7-13(23-12-5-2-1-3-6-12)11-15(14)19-17(20-16)21-10-4-9-18-21/h1-11H,(H,19,20,22).
What are the key properties of 7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one?
7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one has a molecular weight of 304.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one is sourced from PubChem (CID 136641811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).