1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline

C16H19FN4O2S — CID 127915447

IUPAC1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline
SMILESCCn1cncc1S(=O)(=O)N1CCN(C2CC2)c2ccc(F)cc21
InChIInChI=1S/C16H19FN4O2S/c1-2-19-11-18-10-16(19)24(22,23)21-8-7-20(13-4-5-13)14-6-3-12(17)9-15(14)21/h3,6,9-11,13H,2,4-5,7-8H2,1H3
InChIKeyBPCRSXWUVDMDCR-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.22
Rot. Bonds4

About 1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline

1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline (PubChem CID 127915447) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline
PubChem CID127915447
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Name1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline
SMILESCCn1cncc1S(=O)(=O)N1CCN(C2CC2)c2ccc(F)cc21
InChIInChI=1S/C16H19FN4O2S/c1-2-19-11-18-10-16(19)24(22,23)21-8-7-20(13-4-5-13)14-6-3-12(17)9-15(14)21/h3,6,9-11,13H,2,4-5,7-8H2,1H3
InChIKeyBPCRSXWUVDMDCR-UHFFFAOYSA-N
XLogP2.22
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline?
The IUPAC name of 1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline (CID 127915447) is 1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline?
The canonical SMILES for 1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline is CCn1cncc1S(=O)(=O)N1CCN(C2CC2)c2ccc(F)cc21.
What is the InChIKey of 1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline?
The InChIKey is BPCRSXWUVDMDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-2-19-11-18-10-16(19)24(22,23)21-8-7-20(13-4-5-13)14-6-3-12(17)9-15(14)21/h3,6,9-11,13H,2,4-5,7-8H2,1H3.
What are the key properties of 1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline?
1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline has a molecular weight of 350.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(3-ethylimidazol-4-yl)sulfonyl-6-fluoro-2,3-dihydroquinoxaline is sourced from PubChem (CID 127915447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).