2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one

C16H14N4O — CID 23937673

IUPAC2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one
SMILESCC(=Nn1c(C)nc2ccccc2c1=O)c1cccnc1
InChIInChI=1S/C16H14N4O/c1-11(13-6-5-9-17-10-13)19-20-12(2)18-15-8-4-3-7-14(15)16(20)21/h3-10H,1-2H3
InChIKeyRHENGAMOQKFLKR-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.37
Rot. Bonds2

About 2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one

2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one (PubChem CID 23937673) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one
PubChem CID23937673
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one
SMILESCC(=Nn1c(C)nc2ccccc2c1=O)c1cccnc1
InChIInChI=1S/C16H14N4O/c1-11(13-6-5-9-17-10-13)19-20-12(2)18-15-8-4-3-7-14(15)16(20)21/h3-10H,1-2H3
InChIKeyRHENGAMOQKFLKR-UHFFFAOYSA-N
XLogP2.37
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one
CID 6009700
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one
CID 4863812
ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate
CID 13409713
3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one
CID 170995267
3-[(Z)-1-[4-[(5-oxo-1-phenyl-3-pyridin-3-yl-4H-pyrazol-4-yl)diazenyl]phenyl]ethylideneamino]-2-phenylquinazolin-4-one
CID 170995396
6,7-dimethoxy-2-methyl-3-(1-pyridin-4-ylethylideneamino)quinazolin-4-one
CID 933441
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
(Z)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 6081356
2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
CID 136736737
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 136721220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one?
The IUPAC name of 2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one (CID 23937673) is 2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one is CC(=Nn1c(C)nc2ccccc2c1=O)c1cccnc1.
What is the InChIKey of 2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one?
The InChIKey is RHENGAMOQKFLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11(13-6-5-9-17-10-13)19-20-12(2)18-15-8-4-3-7-14(15)16(20)21/h3-10H,1-2H3.
What are the key properties of 2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one?
2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one has a molecular weight of 278.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one is sourced from PubChem (CID 23937673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).