2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride

C10H6Cl2FN3O2 — CID 143181681

IUPAC2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride
SMILESO=C(F)C(=O)NC1=NCc2c(ccc(Cl)c2Cl)N1
InChIInChI=1S/C10H6Cl2FN3O2/c11-5-1-2-6-4(7(5)12)3-14-10(15-6)16-9(18)8(13)17/h1-2H,3H2,(H2,14,15,16,18)
InChIKeyGWSUFPBWUNLKKO-UHFFFAOYSA-N
MW290.08 g/mol
LogP1.89
Rot. Bonds1

About 2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride

2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride (PubChem CID 143181681) has the molecular formula C10H6Cl2FN3O2 and a molecular weight of 290.08 g/mol. Its IUPAC name is 2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride.

Molecular Properties

Compound Name2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride
PubChem CID143181681
Molecular FormulaC10H6Cl2FN3O2
Molecular Weight290.08 g/mol
Exact Mass288.98
IUPAC Name2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride
SMILESO=C(F)C(=O)NC1=NCc2c(ccc(Cl)c2Cl)N1
InChIInChI=1S/C10H6Cl2FN3O2/c11-5-1-2-6-4(7(5)12)3-14-10(15-6)16-9(18)8(13)17/h1-2H,3H2,(H2,14,15,16,18)
InChIKeyGWSUFPBWUNLKKO-UHFFFAOYSA-N
XLogP1.89
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.08
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride 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-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride?
The IUPAC name of 2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride (CID 143181681) is 2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride.
What is the SMILES notation for 2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride?
The canonical SMILES for 2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride is O=C(F)C(=O)NC1=NCc2c(ccc(Cl)c2Cl)N1.
What is the InChIKey of 2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride?
The InChIKey is GWSUFPBWUNLKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3O2/c11-5-1-2-6-4(7(5)12)3-14-10(15-6)16-9(18)8(13)17/h1-2H,3H2,(H2,14,15,16,18).
What are the key properties of 2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride?
2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride has a molecular weight of 290.08 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dichloro-1,4-dihydroquinazolin-2-yl)amino]-2-oxoacetyl fluoride is sourced from PubChem (CID 143181681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).