1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

C23H26FN3O2 — CID 123972447

IUPAC1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3ccc(CCCF)nc3)cc2N(C(=O)C2CC2)CC1C
InChIInChI=1S/C23H26FN3O2/c1-15-14-26(23(29)17-5-6-17)22-12-18(8-10-21(22)27(15)16(2)28)19-7-9-20(25-13-19)4-3-11-24/h7-10,12-13,15,17H,3-6,11,14H2,1-2H3
InChIKeyKMYUBCDBISRSOH-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.15
Rot. Bonds5

About 1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 123972447) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID123972447
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3ccc(CCCF)nc3)cc2N(C(=O)C2CC2)CC1C
InChIInChI=1S/C23H26FN3O2/c1-15-14-26(23(29)17-5-6-17)22-12-18(8-10-21(22)27(15)16(2)28)19-7-9-20(25-13-19)4-3-11-24/h7-10,12-13,15,17H,3-6,11,14H2,1-2H3
InChIKeyKMYUBCDBISRSOH-UHFFFAOYSA-N
XLogP4.15
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (CID 123972447) is 1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccc(-c3ccc(CCCF)nc3)cc2N(C(=O)C2CC2)CC1C.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is KMYUBCDBISRSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-15-14-26(23(29)17-5-6-17)22-12-18(8-10-21(22)27(15)16(2)28)19-7-9-20(25-13-19)4-3-11-24/h7-10,12-13,15,17H,3-6,11,14H2,1-2H3.
What are the key properties of 1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 395.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 123972447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).