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

C20H17N5O2 — CID 10473624

IUPAC2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
SMILESCC1=NN(c2ccccc2)C(=O)C1/C=N/n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C20H17N5O2/c1-13-17(20(27)25(23-13)15-8-4-3-5-9-15)12-21-24-14(2)22-18-11-7-6-10-16(18)19(24)26/h3-12,17H,1-2H3/b21-12+
InChIKeyUXBKRZDIXILPSY-CIAFOILYSA-N
MW359.39 g/mol
LogP2.58
Rot. Bonds3

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

2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one (PubChem CID 10473624) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
PubChem CID10473624
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
SMILESCC1=NN(c2ccccc2)C(=O)C1/C=N/n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C20H17N5O2/c1-13-17(20(27)25(23-13)15-8-4-3-5-9-15)12-21-24-14(2)22-18-11-7-6-10-16(18)19(24)26/h3-12,17H,1-2H3/b21-12+
InChIKeyUXBKRZDIXILPSY-CIAFOILYSA-N
XLogP2.58
TPSA79.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one with MolForge

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Related Compounds

(4R)-5-methyl-4-[(2-methylphenyl)iminomethyl]-2-phenyl-4H-pyrazol-3-one
CID 98154512
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one
CID 6009700
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6908041
3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 136721220
N-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]acetamide
CID 21230929
2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one
CID 5125278
2-methyl-3-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]quinazolin-4-one
CID 23350657
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 936423
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
2-methyl-3-[(2-nitrophenyl)methylideneamino]quinazolin-4-one
CID 880262

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one (CID 10473624) is 2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one is CC1=NN(c2ccccc2)C(=O)C1/C=N/n1c(C)nc2ccccc2c1=O.
What is the InChIKey of 2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one?
The InChIKey is UXBKRZDIXILPSY-CIAFOILYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-17(20(27)25(23-13)15-8-4-3-5-9-15)12-21-24-14(2)22-18-11-7-6-10-16(18)19(24)26/h3-12,17H,1-2H3/b21-12+.
What are the key properties of 2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one?
2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one has a molecular weight of 359.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 10473624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).