3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

C19H19FN2O2 — CID 138008189

IUPAC3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCc3ccccc3O2)c2ccc(F)cc21
InChIInChI=1S/C19H19FN2O2/c1-21-10-11-22(15-8-7-14(20)12-16(15)21)19(23)18-9-6-13-4-2-3-5-17(13)24-18/h2-5,7-8,12,18H,6,9-11H2,1H3
InChIKeyPXONMURJCMZSDQ-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.00
Rot. Bonds1

About 3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 138008189) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID138008189
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCc3ccccc3O2)c2ccc(F)cc21
InChIInChI=1S/C19H19FN2O2/c1-21-10-11-22(15-8-7-14(20)12-16(15)21)19(23)18-9-6-13-4-2-3-5-17(13)24-18/h2-5,7-8,12,18H,6,9-11H2,1H3
InChIKeyPXONMURJCMZSDQ-UHFFFAOYSA-N
XLogP3.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 138008189) is 3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CN1CCN(C(=O)C2CCc3ccccc3O2)c2ccc(F)cc21.
What is the InChIKey of 3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is PXONMURJCMZSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-21-10-11-22(15-8-7-14(20)12-16(15)21)19(23)18-9-6-13-4-2-3-5-17(13)24-18/h2-5,7-8,12,18H,6,9-11H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 326.37 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 138008189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).