N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide

C18H13FN6O — CID 70880579

IUPACN-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide
SMILESCC(=O)Nc1nc(-n2cncn2)c2cc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C18H13FN6O/c1-11(26)22-18-23-16-7-4-13(12-2-5-14(19)6-3-12)8-15(16)17(24-18)25-10-20-9-21-25/h2-10H,1H3,(H,22,23,24,26)
InChIKeyPCHQGTNFXOLUKG-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.97
Rot. Bonds3

About N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide

N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide (PubChem CID 70880579) has the molecular formula C18H13FN6O and a molecular weight of 348.34 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide
PubChem CID70880579
Molecular FormulaC18H13FN6O
Molecular Weight348.34 g/mol
Exact Mass348.11
IUPAC NameN-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide
SMILESCC(=O)Nc1nc(-n2cncn2)c2cc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C18H13FN6O/c1-11(26)22-18-23-16-7-4-13(12-2-5-14(19)6-3-12)8-15(16)17(24-18)25-10-20-9-21-25/h2-10H,1H3,(H,22,23,24,26)
InChIKeyPCHQGTNFXOLUKG-UHFFFAOYSA-N
XLogP2.97
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)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-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide?
The IUPAC name of N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide (CID 70880579) is N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide is CC(=O)Nc1nc(-n2cncn2)c2cc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide?
The InChIKey is PCHQGTNFXOLUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O/c1-11(26)22-18-23-16-7-4-13(12-2-5-14(19)6-3-12)8-15(16)17(24-18)25-10-20-9-21-25/h2-10H,1H3,(H,22,23,24,26).
What are the key properties of N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide?
N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide has a molecular weight of 348.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide is sourced from PubChem (CID 70880579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).