(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone

C17H23FN2O3S — CID 136539387

IUPAC(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone
SMILESCCCN1CCN(C(=O)C2(S(C)(=O)=O)CCC2)c2cc(F)ccc21
InChIInChI=1S/C17H23FN2O3S/c1-3-9-19-10-11-20(15-12-13(18)5-6-14(15)19)16(21)17(7-4-8-17)24(2,22)23/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyIMMLNUYCJGOYPW-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.36
Rot. Bonds4

About (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone

(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone (PubChem CID 136539387) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone.

Molecular Properties

Compound Name(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone
PubChem CID136539387
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Name(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone
SMILESCCCN1CCN(C(=O)C2(S(C)(=O)=O)CCC2)c2cc(F)ccc21
InChIInChI=1S/C17H23FN2O3S/c1-3-9-19-10-11-20(15-12-13(18)5-6-14(15)19)16(21)17(7-4-8-17)24(2,22)23/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyIMMLNUYCJGOYPW-UHFFFAOYSA-N
XLogP2.36
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 146089015
1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone
CID 99793533
(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 86819215
1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-(oxolan-3-ylmethoxy)ethanone
CID 86819211
1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone
CID 146148610
N-(3-cyanothiophen-2-yl)-2-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)acetamide
CID 100716129
4-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 119994278
2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 119899727
3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 99799936
1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(1-hydroxycyclohexyl)ethanone
CID 111540753
1,3-dithiolan-2-yl-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 122133504
cyclopropyl-[6-fluoro-3-(pyrrolidin-1-ylmethyl)-2H-benzimidazol-1-yl]methanone
CID 70654188

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone?
The IUPAC name of (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone (CID 136539387) is (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone.
What is the SMILES notation for (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone?
The canonical SMILES for (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone is CCCN1CCN(C(=O)C2(S(C)(=O)=O)CCC2)c2cc(F)ccc21.
What is the InChIKey of (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone?
The InChIKey is IMMLNUYCJGOYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c1-3-9-19-10-11-20(15-12-13(18)5-6-14(15)19)16(21)17(7-4-8-17)24(2,22)23/h5-6,12H,3-4,7-11H2,1-2H3.
What are the key properties of (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone?
(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-(1-methylsulfonylcyclobutyl)methanone is sourced from PubChem (CID 136539387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).