(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone

C17H14F3N3O — CID 126804665

IUPAC(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone
SMILESO=C(c1ncc(F)cc1F)N1CCN(C2CC2)c2ccc(F)cc21
InChIInChI=1S/C17H14F3N3O/c18-10-1-4-14-15(8-10)23(6-5-22(14)12-2-3-12)17(24)16-13(20)7-11(19)9-21-16/h1,4,7-9,12H,2-3,5-6H2
InChIKeyZYXUVLZCUNDJSK-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.13
Rot. Bonds2

About (4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone

(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone (PubChem CID 126804665) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is (4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone
PubChem CID126804665
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone
SMILESO=C(c1ncc(F)cc1F)N1CCN(C2CC2)c2ccc(F)cc21
InChIInChI=1S/C17H14F3N3O/c18-10-1-4-14-15(8-10)23(6-5-22(14)12-2-3-12)17(24)16-13(20)7-11(19)9-21-16/h1,4,7-9,12H,2-3,5-6H2
InChIKeyZYXUVLZCUNDJSK-UHFFFAOYSA-N
XLogP3.13
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone?
The IUPAC name of (4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone (CID 126804665) is (4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone.
What is the SMILES notation for (4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone?
The canonical SMILES for (4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone is O=C(c1ncc(F)cc1F)N1CCN(C2CC2)c2ccc(F)cc21.
What is the InChIKey of (4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone?
The InChIKey is ZYXUVLZCUNDJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-10-1-4-14-15(8-10)23(6-5-22(14)12-2-3-12)17(24)16-13(20)7-11(19)9-21-16/h1,4,7-9,12H,2-3,5-6H2.
What are the key properties of (4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone?
(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone has a molecular weight of 333.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-2-pyridinyl)methanone is sourced from PubChem (CID 126804665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).