N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide

C21H20FN3O — CID 71885526

IUPACN-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3(c4ccc(F)cc4)CCC3)cc2nc1C
InChIInChI=1S/C21H20FN3O/c1-13-14(2)24-19-12-15(4-9-18(19)23-13)20(26)25-21(10-3-11-21)16-5-7-17(22)8-6-16/h4-9,12H,3,10-11H2,1-2H3,(H,25,26)
InChIKeyIHHHOYGUTCGDHJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.19
Rot. Bonds3

About N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 71885526) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID71885526
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3(c4ccc(F)cc4)CCC3)cc2nc1C
InChIInChI=1S/C21H20FN3O/c1-13-14(2)24-19-12-15(4-9-18(19)23-13)20(26)25-21(10-3-11-21)16-5-7-17(22)8-6-16/h4-9,12H,3,10-11H2,1-2H3,(H,25,26)
InChIKeyIHHHOYGUTCGDHJ-UHFFFAOYSA-N
XLogP4.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-difluorophenyl)cyclopropyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 74251416
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487
3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172
N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
CID 113091009
N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 16674468
N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide
CID 51112398
4-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopentyl]benzamide;hydrochloride
CID 119305591
N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide
CID 51126175
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 71885526) is N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NC3(c4ccc(F)cc4)CCC3)cc2nc1C.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is IHHHOYGUTCGDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-13-14(2)24-19-12-15(4-9-18(19)23-13)20(26)25-21(10-3-11-21)16-5-7-17(22)8-6-16/h4-9,12H,3,10-11H2,1-2H3,(H,25,26).
What are the key properties of N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 71885526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).