N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

C18H13F2N5O2 — CID 53170857

IUPACN-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCc1ccc2c(c1)[nH]c(=O)c1c(C(=O)NCc3ccc(F)cc3F)nnn12
InChIInChI=1S/C18H13F2N5O2/c1-9-2-5-14-13(6-9)22-18(27)16-15(23-24-25(14)16)17(26)21-8-10-3-4-11(19)7-12(10)20/h2-7H,8H2,1H3,(H,21,26)(H,22,27)
InChIKeyMSGFEBKZYWUPRV-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.09
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (PubChem CID 53170857) has the molecular formula C18H13F2N5O2 and a molecular weight of 369.33 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
PubChem CID53170857
Molecular FormulaC18H13F2N5O2
Molecular Weight369.33 g/mol
Exact Mass369.10
IUPAC NameN-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCc1ccc2c(c1)[nH]c(=O)c1c(C(=O)NCc3ccc(F)cc3F)nnn12
InChIInChI=1S/C18H13F2N5O2/c1-9-2-5-14-13(6-9)22-18(27)16-15(23-24-25(14)16)17(26)21-8-10-3-4-11(19)7-12(10)20/h2-7H,8H2,1H3,(H,21,26)(H,22,27)
InChIKeyMSGFEBKZYWUPRV-UHFFFAOYSA-N
XLogP2.09
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.09
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-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170785
N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170868
7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170768
N,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170808
7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170811
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170959
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 53333384
N-[(2,4-difluorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051416
4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170903
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 53332635

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (CID 53170857) is N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is Cc1ccc2c(c1)[nH]c(=O)c1c(C(=O)NCc3ccc(F)cc3F)nnn12.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The InChIKey is MSGFEBKZYWUPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2/c1-9-2-5-14-13(6-9)22-18(27)16-15(23-24-25(14)16)17(26)21-8-10-3-4-11(19)7-12(10)20/h2-7H,8H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide has a molecular weight of 369.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 53170857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).