N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

C17H11ClFN5O2 — CID 52905749

IUPACN-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
SMILESO=C(Cn1nc2c3cc(F)ccc3ncn2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H11ClFN5O2/c18-10-1-4-12(5-2-10)21-15(25)8-24-17(26)23-9-20-14-6-3-11(19)7-13(14)16(23)22-24/h1-7,9H,8H2,(H,21,25)
InChIKeyKMHDIZHFGNWRML-UHFFFAOYSA-N
MW371.76 g/mol
LogP2.48
Rot. Bonds3

About N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (PubChem CID 52905749) has the molecular formula C17H11ClFN5O2 and a molecular weight of 371.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
PubChem CID52905749
Molecular FormulaC17H11ClFN5O2
Molecular Weight371.76 g/mol
Exact Mass371.06
IUPAC NameN-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
SMILESO=C(Cn1nc2c3cc(F)ccc3ncn2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H11ClFN5O2/c18-10-1-4-12(5-2-10)21-15(25)8-24-17(26)23-9-20-14-6-3-11(19)7-13(14)16(23)22-24/h1-7,9H,8H2,(H,21,25)
InChIKeyKMHDIZHFGNWRML-UHFFFAOYSA-N
XLogP2.48
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.76
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide 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 N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (CID 52905749) is N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is O=C(Cn1nc2c3cc(F)ccc3ncn2c1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The InChIKey is KMHDIZHFGNWRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5O2/c18-10-1-4-12(5-2-10)21-15(25)8-24-17(26)23-9-20-14-6-3-11(19)7-13(14)16(23)22-24/h1-7,9H,8H2,(H,21,25).
What are the key properties of N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide has a molecular weight of 371.76 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is sourced from PubChem (CID 52905749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).