[5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate

C26H20N4O3 — CID 175730827

IUPAC[5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate
SMILESCn1cnc2ccc(-c3cc(-c4ccccc4)nn3COC(=O)c3ccccc3)cc2c1=O
InChIInChI=1S/C26H20N4O3/c1-29-16-27-22-13-12-20(14-21(22)25(29)31)24-15-23(18-8-4-2-5-9-18)28-30(24)17-33-26(32)19-10-6-3-7-11-19/h2-16H,17H2,1H3
InChIKeyHNKORPJIAPAQMM-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.28
Rot. Bonds5

About [5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate

[5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate (PubChem CID 175730827) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is [5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate.

Molecular Properties

Compound Name[5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate
PubChem CID175730827
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name[5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate
SMILESCn1cnc2ccc(-c3cc(-c4ccccc4)nn3COC(=O)c3ccccc3)cc2c1=O
InChIInChI=1S/C26H20N4O3/c1-29-16-27-22-13-12-20(14-21(22)25(29)31)24-15-23(18-8-4-2-5-9-18)28-30(24)17-33-26(32)19-10-6-3-7-11-19/h2-16H,17H2,1H3
InChIKeyHNKORPJIAPAQMM-UHFFFAOYSA-N
XLogP4.28
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate 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

4-[[3-(3-methyl-4-oxoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]benzamide
CID 175731038
3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one
CID 164522423
4-[[5-(1,3-benzodioxol-5-yl)-3-(3-methyl-4-oxoquinazolin-6-yl)pyrazol-1-yl]methyl]-N-hydroxybenzamide
CID 164522448
3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 166273309
(3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate
CID 119046801
2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide
CID 175986864
(4,5-dimethylimidazol-1-yl)methyl benzoate
CID 75515249
3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4-phenylbenzoate
CID 42984471
1-ethyl-3,5-diphenylpyrazole
CID 12665793
6-tert-butyl-3-methylquinazolin-4-one
CID 59391740
[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]methyl benzoate
CID 23455172
4-[1-(carboxymethyl)-5-[4-[1-(carboxymethyl)-3-(4-carboxyphenyl)pyrazol-5-yl]phenyl]pyrazol-3-yl]benzoic acid
CID 71231192

Frequently Asked Questions

What is the IUPAC name of [5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate?
The IUPAC name of [5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate (CID 175730827) is [5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate.
What is the SMILES notation for [5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate?
The canonical SMILES for [5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate is Cn1cnc2ccc(-c3cc(-c4ccccc4)nn3COC(=O)c3ccccc3)cc2c1=O.
What is the InChIKey of [5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate?
The InChIKey is HNKORPJIAPAQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c1-29-16-27-22-13-12-20(14-21(22)25(29)31)24-15-23(18-8-4-2-5-9-18)28-30(24)17-33-26(32)19-10-6-3-7-11-19/h2-16H,17H2,1H3.
What are the key properties of [5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate?
[5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate has a molecular weight of 436.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate is sourced from PubChem (CID 175730827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).