2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one

C16H15N3O2 — CID 6859095

IUPAC2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one
SMILESC/C(=N\n1c(C)nc2ccccc2c1=O)c1ccc(C)o1
InChIInChI=1S/C16H15N3O2/c1-10-8-9-15(21-10)11(2)18-19-12(3)17-14-7-5-4-6-13(14)16(19)20/h4-9H,1-3H3/b18-11+
InChIKeyVLUGGLBQPVBKHL-WOJGMQOQSA-N
MW281.31 g/mol
LogP2.88
Rot. Bonds2

About 2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one

2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one (PubChem CID 6859095) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one
PubChem CID6859095
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one
SMILESC/C(=N\n1c(C)nc2ccccc2c1=O)c1ccc(C)o1
InChIInChI=1S/C16H15N3O2/c1-10-8-9-15(21-10)11(2)18-19-12(3)17-14-7-5-4-6-13(14)16(19)20/h4-9H,1-3H3/b18-11+
InChIKeyVLUGGLBQPVBKHL-WOJGMQOQSA-N
XLogP2.88
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.88
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-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
3-[(E)-furan-2-ylmethylideneamino]-2-methylquinazolin-4-one
CID 5344841
2-(2-ethoxyphenyl)-4-(3H)-quinazolone
CID 136006573
4(3H)-Quinazolinone, 3-(((4-methoxyphenyl)methylene)amino)-2-phenyl-
CID 9571030
3-amino-2-(4-methoxyphenyl)quinazolin-4(3H)-one
CID 805109
3-[(E)-(4-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6859245
2-(furan-2-yl)quinazolin-4(3H)-one
CID 135473199
3-amino-2-[(3-methylphenoxy)methyl]-4(3H)-quinazolinone
CID 804944
3-Amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 827892
3-butyl-2-(furan-2-yl)quinazolin-4(3H)-one
CID 1923623
2-(2-furyl)-3-[(3-methoxybenzylidene)amino]-4(3H)-quinazolinone
CID 6858646
3-[(E)-furan-2-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 6865892

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one (CID 6859095) is 2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one is C/C(=N\n1c(C)nc2ccccc2c1=O)c1ccc(C)o1.
What is the InChIKey of 2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one?
The InChIKey is VLUGGLBQPVBKHL-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-8-9-15(21-10)11(2)18-19-12(3)17-14-7-5-4-6-13(14)16(19)20/h4-9H,1-3H3/b18-11+.
What are the key properties of 2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one?
2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one has a molecular weight of 281.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]quinazolin-4-one is sourced from PubChem (CID 6859095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).