N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide

C20H17F2N3O — CID 74251416

IUPACN-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3(c4cc(F)cc(F)c4)CC3)cc2nc1C
InChIInChI=1S/C20H17F2N3O/c1-11-12(2)24-18-7-13(3-4-17(18)23-11)19(26)25-20(5-6-20)14-8-15(21)10-16(22)9-14/h3-4,7-10H,5-6H2,1-2H3,(H,25,26)
InChIKeyYUYZSMGRPSMHEF-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.94
Rot. Bonds3

About N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 74251416) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID74251416
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3(c4cc(F)cc(F)c4)CC3)cc2nc1C
InChIInChI=1S/C20H17F2N3O/c1-11-12(2)24-18-7-13(3-4-17(18)23-11)19(26)25-20(5-6-20)14-8-15(21)10-16(22)9-14/h3-4,7-10H,5-6H2,1-2H3,(H,25,26)
InChIKeyYUYZSMGRPSMHEF-UHFFFAOYSA-N
XLogP3.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 71885526
N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
CID 113091009
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55907266
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide
CID 110357024
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide
CID 39966213
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108573338
N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110795619
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 74251416) is N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NC3(c4cc(F)cc(F)c4)CC3)cc2nc1C.
What is the InChIKey of N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is YUYZSMGRPSMHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-11-12(2)24-18-7-13(3-4-17(18)23-11)19(26)25-20(5-6-20)14-8-15(21)10-16(22)9-14/h3-4,7-10H,5-6H2,1-2H3,(H,25,26).
What are the key properties of N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 74251416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).