3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one

C16H13Cl2FN4O — CID 142801646

IUPAC3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one
SMILESNNCCc1nc2ccc(F)cc2c(=O)n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2FN4O/c17-9-1-4-14(12(18)7-9)23-15(5-6-21-20)22-13-3-2-10(19)8-11(13)16(23)24/h1-4,7-8,21H,5-6,20H2
InChIKeyZTYPWALDWJSJKE-UHFFFAOYSA-N
MW367.21 g/mol
LogP2.84
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one

3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one (PubChem CID 142801646) has the molecular formula C16H13Cl2FN4O and a molecular weight of 367.21 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one
PubChem CID142801646
Molecular FormulaC16H13Cl2FN4O
Molecular Weight367.21 g/mol
Exact Mass366.05
IUPAC Name3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one
SMILESNNCCc1nc2ccc(F)cc2c(=O)n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2FN4O/c17-9-1-4-14(12(18)7-9)23-15(5-6-21-20)22-13-3-2-10(19)8-11(13)16(23)24/h1-4,7-8,21H,5-6,20H2
InChIKeyZTYPWALDWJSJKE-UHFFFAOYSA-N
XLogP2.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)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

Related Compounds

3-(2-chloro-4-fluorophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61064406
3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one
CID 18362996
3-(2-chlorophenyl)-6-fluoro-2-[[(6-methyl-2-pyridinyl)amino]methyl]quinazolin-4-one
CID 10237579
2-[2-[[6-amino-5-[2-(5-fluoro-2-pyridinyl)ethynyl]pyrimidin-4-yl]amino]ethyl]-3-(3-chlorophenyl)-6-fluoroquinazolin-4-one
CID 90236379
1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
CID 63545740
tert-butyl N-[2-[3-(3,5-difluorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90238280
2-[[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]methylamino]pyridine-3-carbonitrile
CID 10309769
6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one
CID 11014381
3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835156
6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one
CID 1302543
3-amino-2-(2-chloro-4-fluorophenyl)isoquinolin-1-one
CID 43341017
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one (CID 142801646) is 3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one is NNCCc1nc2ccc(F)cc2c(=O)n1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one?
The InChIKey is ZTYPWALDWJSJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN4O/c17-9-1-4-14(12(18)7-9)23-15(5-6-21-20)22-13-3-2-10(19)8-11(13)16(23)24/h1-4,7-8,21H,5-6,20H2.
What are the key properties of 3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one?
3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one has a molecular weight of 367.21 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-6-fluoro-2-(2-hydrazinylethyl)quinazolin-4-one is sourced from PubChem (CID 142801646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).