1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C19H23FN4O2 — CID 99822414

IUPAC1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCC(C)c1noc(CCC(=O)N2CCN(C3CC3)c3ccc(F)cc32)n1
InChIInChI=1S/C19H23FN4O2/c1-12(2)19-21-17(26-22-19)7-8-18(25)24-10-9-23(14-4-5-14)15-6-3-13(20)11-16(15)24/h3,6,11-12,14H,4-5,7-10H2,1-2H3
InChIKeyMKDJFXUUHJMEJM-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.28
Rot. Bonds5

About 1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 99822414) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID99822414
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCC(C)c1noc(CCC(=O)N2CCN(C3CC3)c3ccc(F)cc32)n1
InChIInChI=1S/C19H23FN4O2/c1-12(2)19-21-17(26-22-19)7-8-18(25)24-10-9-23(14-4-5-14)15-6-3-13(20)11-16(15)24/h3,6,11-12,14H,4-5,7-10H2,1-2H3
InChIKeyMKDJFXUUHJMEJM-UHFFFAOYSA-N
XLogP3.28
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one with MolForge

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Related Compounds

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CID 110073629
1-[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 55880772
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1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
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3-[(2S)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid
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1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
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1-(9,17-dimethyl-3,11,17-triazatricyclo[12.2.1.05,10]heptadeca-5,7,9-trien-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110069221

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 99822414) is 1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is CC(C)c1noc(CCC(=O)N2CCN(C3CC3)c3ccc(F)cc32)n1.
What is the InChIKey of 1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is MKDJFXUUHJMEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-12(2)19-21-17(26-22-19)7-8-18(25)24-10-9-23(14-4-5-14)15-6-3-13(20)11-16(15)24/h3,6,11-12,14H,4-5,7-10H2,1-2H3.
What are the key properties of 1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 358.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-7-fluoro-2,3-dihydroquinoxalin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 99822414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).