2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone

C23H19FN2O2 — CID 24988276

IUPAC2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone
SMILESO=C(C1CC1c1ccc(-c2ccc(F)cc2)nc1)N1CCOc2ccccc21
InChIInChI=1S/C23H19FN2O2/c24-17-8-5-15(6-9-17)20-10-7-16(14-25-20)18-13-19(18)23(27)26-11-12-28-22-4-2-1-3-21(22)26/h1-10,14,18-19H,11-13H2
InChIKeyKKDPOYSVUAMHFO-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.42
Rot. Bonds3

About 2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone

2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone (PubChem CID 24988276) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone
PubChem CID24988276
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone
SMILESO=C(C1CC1c1ccc(-c2ccc(F)cc2)nc1)N1CCOc2ccccc21
InChIInChI=1S/C23H19FN2O2/c24-17-8-5-15(6-9-17)20-10-7-16(14-25-20)18-13-19(18)23(27)26-11-12-28-22-4-2-1-3-21(22)26/h1-10,14,18-19H,11-13H2
InChIKeyKKDPOYSVUAMHFO-UHFFFAOYSA-N
XLogP4.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone with MolForge

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Related Compounds

azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone
CID 159512184
2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride
CID 87545136
trans-(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxylic acid;dihydrochloride
CID 68710465
2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxylic acid;dihydrochloride
CID 68710463
N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 68709871
[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 98719085
(2-chloro-5-fluoro-3-pyridinyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 103891964
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 43074301
cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110712921
3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 101132286
2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride
CID 119293291
azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 64563061

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone (CID 24988276) is 2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone is O=C(C1CC1c1ccc(-c2ccc(F)cc2)nc1)N1CCOc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone?
The InChIKey is KKDPOYSVUAMHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c24-17-8-5-15(6-9-17)20-10-7-16(14-25-20)18-13-19(18)23(27)26-11-12-28-22-4-2-1-3-21(22)26/h1-10,14,18-19H,11-13H2.
What are the key properties of 2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone?
2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone has a molecular weight of 374.42 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone is sourced from PubChem (CID 24988276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).