N-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

C17H11ClFN5O2 — CID 53170785

IUPACN-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
InChIInChI=1S/C17H11ClFN5O2/c18-10-3-1-9(2-4-10)8-20-16(25)14-15-17(26)21-12-7-11(19)5-6-13(12)24(15)23-22-14/h1-7H,8H2,(H,20,25)(H,21,26)
InChIKeyUZLQHIKSWAKRBO-UHFFFAOYSA-N
MW371.76 g/mol
LogP2.29
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

N-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (PubChem CID 53170785) has the molecular formula C17H11ClFN5O2 and a molecular weight of 371.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
PubChem CID53170785
Molecular FormulaC17H11ClFN5O2
Molecular Weight371.76 g/mol
Exact Mass371.06
IUPAC NameN-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
InChIInChI=1S/C17H11ClFN5O2/c18-10-3-1-9(2-4-10)8-20-16(25)14-15-17(26)21-12-7-11(19)5-6-13(12)24(15)23-22-14/h1-7H,8H2,(H,20,25)(H,21,26)
InChIKeyUZLQHIKSWAKRBO-UHFFFAOYSA-N
XLogP2.29
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.76
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170885
N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170857
7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170811
N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170868
N,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170808
7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170768
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125141
N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 91891366
4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170903

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (CID 53170785) is N-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1nnn2c1c(=O)[nH]c1cc(F)ccc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The InChIKey is UZLQHIKSWAKRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5O2/c18-10-3-1-9(2-4-10)8-20-16(25)14-15-17(26)21-12-7-11(19)5-6-13(12)24(15)23-22-14/h1-7H,8H2,(H,20,25)(H,21,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
N-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide has a molecular weight of 371.76 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 53170785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).