1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one

C20H22N2O2 — CID 110715196

IUPAC1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C20H22N2O2/c23-20(12-15-24-17-6-2-1-3-7-17)22-14-13-21(16-10-11-16)18-8-4-5-9-19(18)22/h1-9,16H,10-15H2
InChIKeyBUIYIDWDGMFTRV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.47
Rot. Bonds5

About 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one

1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one (PubChem CID 110715196) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one
PubChem CID110715196
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C20H22N2O2/c23-20(12-15-24-17-6-2-1-3-7-17)22-14-13-21(16-10-11-16)18-8-4-5-9-19(18)22/h1-9,16H,10-15H2
InChIKeyBUIYIDWDGMFTRV-UHFFFAOYSA-N
XLogP3.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone
CID 136533444
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-phenoxypropan-1-one
CID 110639448
1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one
CID 110636690
1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
CID 110725149
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 113006333
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3-methoxyphenyl)methanone
CID 110715186
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
CID 82688164
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
CID 39359717

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one (CID 110715196) is 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one?
The InChIKey is BUIYIDWDGMFTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(12-15-24-17-6-2-1-3-7-17)22-14-13-21(16-10-11-16)18-8-4-5-9-19(18)22/h1-9,16H,10-15H2.
What are the key properties of 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one?
1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one has a molecular weight of 322.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one is sourced from PubChem (CID 110715196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).