2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide

C20H21ClN4O3 — CID 24598212

IUPAC2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide
SMILESCCn1c(NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C20H21ClN4O3/c1-4-25-17(26)15-7-5-6-8-16(15)22-19(25)24-23-18(27)20(2,3)28-14-11-9-13(21)10-12-14/h5-12H,4H2,1-3H3,(H,22,24)(H,23,27)
InChIKeyLUVLFEKDLRPLID-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.37
Rot. Bonds6

About 2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide

2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide (PubChem CID 24598212) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide
PubChem CID24598212
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide
SMILESCCn1c(NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C20H21ClN4O3/c1-4-25-17(26)15-7-5-6-8-16(15)22-19(25)24-23-18(27)20(2,3)28-14-11-9-13(21)10-12-14/h5-12H,4H2,1-3H3,(H,22,24)(H,23,27)
InChIKeyLUVLFEKDLRPLID-UHFFFAOYSA-N
XLogP3.37
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide 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 2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide?
The IUPAC name of 2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide (CID 24598212) is 2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide?
The canonical SMILES for 2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide is CCn1c(NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide?
The InChIKey is LUVLFEKDLRPLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-4-25-17(26)15-7-5-6-8-16(15)22-19(25)24-23-18(27)20(2,3)28-14-11-9-13(21)10-12-14/h5-12H,4H2,1-3H3,(H,22,24)(H,23,27).
What are the key properties of 2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide?
2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide has a molecular weight of 400.87 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide is sourced from PubChem (CID 24598212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).