3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one

C19H16N4O2 — CID 68622384

IUPAC3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
SMILESCOc1cccc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1
InChIInChI=1S/C19H16N4O2/c1-25-16-4-2-3-13(7-16)11-23-12-20-18-6-5-14(8-17(18)19(23)24)15-9-21-22-10-15/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyQQJKCGXOHWHBQV-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.84
Rot. Bonds4

About 3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one

3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one (PubChem CID 68622384) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
PubChem CID68622384
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
SMILESCOc1cccc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1
InChIInChI=1S/C19H16N4O2/c1-25-16-4-2-3-13(7-16)11-23-12-20-18-6-5-14(8-17(18)19(23)24)15-9-21-22-10-15/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyQQJKCGXOHWHBQV-UHFFFAOYSA-N
XLogP2.84
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)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

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one (CID 68622384) is 3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one is COc1cccc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one?
The InChIKey is QQJKCGXOHWHBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-25-16-4-2-3-13(7-16)11-23-12-20-18-6-5-14(8-17(18)19(23)24)15-9-21-22-10-15/h2-10,12H,11H2,1H3,(H,21,22).
What are the key properties of 3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one?
3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one has a molecular weight of 332.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one is sourced from PubChem (CID 68622384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).