3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one

C17H18N4O2 — CID 95567450

IUPAC3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one
SMILESCCn1c(N/N=C(\C)c2ccc(C)o2)nc2ccccc2c1=O
InChIInChI=1S/C17H18N4O2/c1-4-21-16(22)13-7-5-6-8-14(13)18-17(21)20-19-12(3)15-10-9-11(2)23-15/h5-10H,4H2,1-3H3,(H,18,20)/b19-12+
InChIKeyTVBFIPLYKLUEEF-XDHOZWIPSA-N
MW310.36 g/mol
LogP3.15
Rot. Bonds4

About 3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one

3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one (PubChem CID 95567450) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one
PubChem CID95567450
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one
SMILESCCn1c(N/N=C(\C)c2ccc(C)o2)nc2ccccc2c1=O
InChIInChI=1S/C17H18N4O2/c1-4-21-16(22)13-7-5-6-8-14(13)18-17(21)20-19-12(3)15-10-9-11(2)23-15/h5-10H,4H2,1-3H3,(H,18,20)/b19-12+
InChIKeyTVBFIPLYKLUEEF-XDHOZWIPSA-N
XLogP3.15
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one (CID 95567450) is 3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one is CCn1c(N/N=C(\C)c2ccc(C)o2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one?
The InChIKey is TVBFIPLYKLUEEF-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-4-21-16(22)13-7-5-6-8-14(13)18-17(21)20-19-12(3)15-10-9-11(2)23-15/h5-10H,4H2,1-3H3,(H,18,20)/b19-12+.
What are the key properties of 3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one?
3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one has a molecular weight of 310.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 95567450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).