2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one

C19H14N4O2S — CID 23738244

IUPAC2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1N=Cc1ccc(Sc2ccccn2)o1
InChIInChI=1S/C19H14N4O2S/c1-13-22-16-7-3-2-6-15(16)19(24)23(13)21-12-14-9-10-18(25-14)26-17-8-4-5-11-20-17/h2-12H,1H3
InChIKeyFGIBLFRVMAUXRJ-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.73
Rot. Bonds4

About 2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one

2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one (PubChem CID 23738244) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one
PubChem CID23738244
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1N=Cc1ccc(Sc2ccccn2)o1
InChIInChI=1S/C19H14N4O2S/c1-13-22-16-7-3-2-6-15(16)19(24)23(13)21-12-14-9-10-18(25-14)26-17-8-4-5-11-20-17/h2-12H,1H3
InChIKeyFGIBLFRVMAUXRJ-UHFFFAOYSA-N
XLogP3.73
TPSA73.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 3886243
(E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 171980105
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
CID 9239381
(NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine
CID 171980324
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
3-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126310726
5-pyridin-2-ylsulfanylfuran-2-carbaldehyde
CID 2794784
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6908041
2-(5-bromo-1-benzofuran-2-yl)-3-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]quinazolin-4-one
CID 126286727

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one (CID 23738244) is 2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one is Cc1nc2ccccc2c(=O)n1N=Cc1ccc(Sc2ccccn2)o1.
What is the InChIKey of 2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one?
The InChIKey is FGIBLFRVMAUXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c1-13-22-16-7-3-2-6-15(16)19(24)23(13)21-12-14-9-10-18(25-14)26-17-8-4-5-11-20-17/h2-12H,1H3.
What are the key properties of 2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one?
2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one has a molecular weight of 362.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 23738244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).