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

C19H14FN5O3 — CID 53073699

IUPACN-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc3c4cc(F)ccc4ncn3c2=O)cc1
InChIInChI=1S/C19H14FN5O3/c1-11(26)12-2-5-14(6-3-12)22-17(27)9-25-19(28)24-10-21-16-7-4-13(20)8-15(16)18(24)23-25/h2-8,10H,9H2,1H3,(H,22,27)
InChIKeyRDKKFXAXQAPZAM-UHFFFAOYSA-N
MW379.35 g/mol
LogP2.02
Rot. Bonds4

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

N-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (PubChem CID 53073699) has the molecular formula C19H14FN5O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
PubChem CID53073699
Molecular FormulaC19H14FN5O3
Molecular Weight379.35 g/mol
Exact Mass379.11
IUPAC NameN-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc3c4cc(F)ccc4ncn3c2=O)cc1
InChIInChI=1S/C19H14FN5O3/c1-11(26)12-2-5-14(6-3-12)22-17(27)9-25-19(28)24-10-21-16-7-4-13(20)8-15(16)18(24)23-25/h2-8,10H,9H2,1H3,(H,22,27)
InChIKeyRDKKFXAXQAPZAM-UHFFFAOYSA-N
XLogP2.02
TPSA98.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-acetylphenyl)-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

Related Compounds

2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53073700
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020137
N-(3-fluorophenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020040
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020139
2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide
CID 53020107
N-(3,4-dimethoxyphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020053
2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 53020197
N-(4-ethylphenyl)-2-(5-oxo-12-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl)acetamide
CID 50826305
2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 53073712
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
S-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56580060
N-(4-methoxyphenyl)-2-(5-oxo-12-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl)acetamide
CID 53010708

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (CID 53073699) is N-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is CC(=O)c1ccc(NC(=O)Cn2nc3c4cc(F)ccc4ncn3c2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The InChIKey is RDKKFXAXQAPZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3/c1-11(26)12-2-5-14(6-3-12)22-17(27)9-25-19(28)24-10-21-16-7-4-13(20)8-15(16)18(24)23-25/h2-8,10H,9H2,1H3,(H,22,27).
What are the key properties of N-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
N-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide has a molecular weight of 379.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is sourced from PubChem (CID 53073699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).