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

C19H15N5O — CID 136736737

IUPAC2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C\c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H15N5O/c1-13-22-17-10-6-5-9-16(17)19(25)24(13)21-12-15-11-20-23-18(15)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,23)/b21-12-
InChIKeyYYKAIOWTGLZQLG-MTJSOVHGSA-N
MW329.36 g/mol
LogP2.98
Rot. Bonds3

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

2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one (PubChem CID 136736737) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
PubChem CID136736737
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C\c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H15N5O/c1-13-22-17-10-6-5-9-16(17)19(25)24(13)21-12-15-11-20-23-18(15)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,23)/b21-12-
InChIKeyYYKAIOWTGLZQLG-MTJSOVHGSA-N
XLogP2.98
TPSA75.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
CID 1385382
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6908041
2-methyl-3-[(2-nitrophenyl)methylideneamino]quinazolin-4-one
CID 880262
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 136721220
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 936423
3-[(E)-[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-[[(E)-1-phenylethylideneamino]oxymethyl]quinazolin-4-one
CID 135549743
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6867165
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
2-methyl-3-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]quinazolin-4-one
CID 23350657

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one (CID 136736737) is 2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one is Cc1nc2ccccc2c(=O)n1/N=C\c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one?
The InChIKey is YYKAIOWTGLZQLG-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H15N5O/c1-13-22-17-10-6-5-9-16(17)19(25)24(13)21-12-15-11-20-23-18(15)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,23)/b21-12-.
What are the key properties of 2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one?
2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one has a molecular weight of 329.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 136736737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).