6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one

C23H16N4O2 — CID 141277498

IUPAC6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-n2cccn2)nc2ccc(Oc3cccc(-c4ccccc4)c3)cc12
InChIInChI=1S/C23H16N4O2/c28-22-20-15-19(10-11-21(20)25-23(26-22)27-13-5-12-24-27)29-18-9-4-8-17(14-18)16-6-2-1-3-7-16/h1-15H,(H,25,26,28)
InChIKeyIEFZTYDSBYKAAH-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.57
Rot. Bonds4

About 6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one

6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one (PubChem CID 141277498) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one
PubChem CID141277498
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-n2cccn2)nc2ccc(Oc3cccc(-c4ccccc4)c3)cc12
InChIInChI=1S/C23H16N4O2/c28-22-20-15-19(10-11-21(20)25-23(26-22)27-13-5-12-24-27)29-18-9-4-8-17(14-18)16-6-2-1-3-7-16/h1-15H,(H,25,26,28)
InChIKeyIEFZTYDSBYKAAH-UHFFFAOYSA-N
XLogP4.57
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-phenoxy-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 136641811
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
[1-[6-(2,3-dichlorophenoxy)-4-oxo-3H-quinazolin-2-yl]pyrazol-4-yl] hydrogen carbonate
CID 136950174
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
N-tert-butyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
CID 66749636
N,N-diethyl-6-phenoxy-2-pyrazol-1-ylquinazolin-4-amine
CID 118000652
2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168551800
8-tert-butyl-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 136633330
2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 141252366
2-pyrazol-1-yl-1H-benzimidazole
CID 639420
2-(4-methoxypyrazol-1-yl)-3H-quinazolin-4-one
CID 135782154

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one?
The IUPAC name of 6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one (CID 141277498) is 6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one is O=c1[nH]c(-n2cccn2)nc2ccc(Oc3cccc(-c4ccccc4)c3)cc12.
What is the InChIKey of 6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one?
The InChIKey is IEFZTYDSBYKAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c28-22-20-15-19(10-11-21(20)25-23(26-22)27-13-5-12-24-27)29-18-9-4-8-17(14-18)16-6-2-1-3-7-16/h1-15H,(H,25,26,28).
What are the key properties of 6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one?
6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one has a molecular weight of 380.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylphenoxy)-2-pyrazol-1-yl-3H-quinazolin-4-one is sourced from PubChem (CID 141277498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).