N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide

C18H15ClFN3O2 — CID 46249302

IUPACN-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
SMILESCc1cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)c(=O)n(C)c2cc1C
InChIInChI=1S/C18H15ClFN3O2/c1-9-6-14-15(7-10(9)2)23(3)18(25)16(22-14)17(24)21-11-4-5-13(20)12(19)8-11/h4-8H,1-3H3,(H,21,24)
InChIKeyDTQXWIVPPKHFHI-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.60
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide

N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 46249302) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
PubChem CID46249302
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
SMILESCc1cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)c(=O)n(C)c2cc1C
InChIInChI=1S/C18H15ClFN3O2/c1-9-6-14-15(7-10(9)2)23(3)18(25)16(22-14)17(24)21-11-4-5-13(20)12(19)8-11/h4-8H,1-3H3,(H,21,24)
InChIKeyDTQXWIVPPKHFHI-UHFFFAOYSA-N
XLogP3.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249264
2,4-dimethyl-3-[(4,6,7-trimethyl-3-oxoquinoxaline-2-carbonyl)amino]benzoic acid
CID 176885160
N-(2,4-dimethoxyphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249305
4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 175952260
N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859321
N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365046
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088667
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780090
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide (CID 46249302) is N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide is Cc1cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)c(=O)n(C)c2cc1C.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is DTQXWIVPPKHFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-9-6-14-15(7-10(9)2)23(3)18(25)16(22-14)17(24)21-11-4-5-13(20)12(19)8-11/h4-8H,1-3H3,(H,21,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 359.79 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 46249302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).