2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one

C25H19N5O2 — CID 1385382

IUPAC2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(COc2ccccc2)n1N=Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C25H19N5O2/c31-25-21-13-7-8-14-22(21)28-23(17-32-20-11-5-2-6-12-20)30(25)27-16-19-15-26-29-24(19)18-9-3-1-4-10-18/h1-16H,17H2,(H,26,29)
InChIKeyFASRNFHGLLMUIA-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.25
Rot. Bonds6

About 2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one

2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one (PubChem CID 1385382) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
PubChem CID1385382
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC Name2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(COc2ccccc2)n1N=Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C25H19N5O2/c31-25-21-13-7-8-14-22(21)28-23(17-32-20-11-5-2-6-12-20)30(25)27-16-19-15-26-29-24(19)18-9-3-1-4-10-18/h1-16H,17H2,(H,26,29)
InChIKeyFASRNFHGLLMUIA-UHFFFAOYSA-N
XLogP4.25
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]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

2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
CID 136736737
3-[(E)-[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-[[(E)-1-phenylethylideneamino]oxymethyl]quinazolin-4-one
CID 135549743
3-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(phenoxymethyl)quinazolin-4-one
CID 136877458
3-[(E)-1H-indol-3-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 135517049
3-[(2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-(phenoxymethyl)quinazolin-4-one
CID 71833854
3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 135549874
2-phenyl-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 71566728
3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one
CID 44822286
2-[(2-methylphenoxy)methyl]-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one
CID 6901031
3-[(E)-benzylideneamino]-2-(bromomethyl)quinazolin-4-one
CID 25197636
3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 6863529
3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126410693

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one (CID 1385382) is 2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one is O=c1c2ccccc2nc(COc2ccccc2)n1N=Cc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one?
The InChIKey is FASRNFHGLLMUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c31-25-21-13-7-8-14-22(21)28-23(17-32-20-11-5-2-6-12-20)30(25)27-16-19-15-26-29-24(19)18-9-3-1-4-10-18/h1-16H,17H2,(H,26,29).
What are the key properties of 2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one?
2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one has a molecular weight of 421.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 1385382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).