1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone

C29H27FN2O3 — CID 59614448

IUPAC1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone
SMILESO=C(Cc1ccc(OCCc2cccnc2)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C29H27FN2O3/c30-24-16-23(17-25(19-24)32-11-14-34-15-12-32)28(33)18-22-7-8-29(27-6-2-1-5-26(22)27)35-13-9-21-4-3-10-31-20-21/h1-8,10,16-17,19-20H,9,11-15,18H2
InChIKeyRUJPIWBZLFXRQZ-UHFFFAOYSA-N
MW470.54 g/mol
LogP5.26
Rot. Bonds8

About 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone

1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone (PubChem CID 59614448) has the molecular formula C29H27FN2O3 and a molecular weight of 470.54 g/mol. Its IUPAC name is 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone
PubChem CID59614448
Molecular FormulaC29H27FN2O3
Molecular Weight470.54 g/mol
Exact Mass470.20
IUPAC Name1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone
SMILESO=C(Cc1ccc(OCCc2cccnc2)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C29H27FN2O3/c30-24-16-23(17-25(19-24)32-11-14-34-15-12-32)28(33)18-22-7-8-29(27-6-2-1-5-26(22)27)35-13-9-21-4-3-10-31-20-21/h1-8,10,16-17,19-20H,9,11-15,18H2
InChIKeyRUJPIWBZLFXRQZ-UHFFFAOYSA-N
XLogP5.26
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone with MolForge

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Related Compounds

Uccf-029
CID 3163532
Biarylether amide quinoline, 4g
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(1-(2-Morpholin-4-ylethyl)indol-3-yl)-4-methoxynaphthalen-1-ylmethanone
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(E)-1-(6-Methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 13615899
13-Oxa-2,8-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,11,15,17,19,21-decaen-10-one
CID 11849304
2-[2-(4-phenylpiperidin-1-yl)ethyl]-6-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
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2-[2-(4-phenylpiperidin-1-yl)ethyl]-6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
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1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-isoquinolin-5-yloxypropan-1-one
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Mao-A/5-HT2AR-IN-1
CID 165413027
11-[4-(4-Phenylpiperazin-1-yl)butoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
CID 168272967
11-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
CID 168273209
11-[3-[4-(2-Fluorophenyl)piperazin-1-yl]propoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone?
The IUPAC name of 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone (CID 59614448) is 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone.
What is the SMILES notation for 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone?
The canonical SMILES for 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone is O=C(Cc1ccc(OCCc2cccnc2)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone?
The InChIKey is RUJPIWBZLFXRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN2O3/c30-24-16-23(17-25(19-24)32-11-14-34-15-12-32)28(33)18-22-7-8-29(27-6-2-1-5-26(22)27)35-13-9-21-4-3-10-31-20-21/h1-8,10,16-17,19-20H,9,11-15,18H2.
What are the key properties of 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone?
1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone has a molecular weight of 470.54 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]ethanone is sourced from PubChem (CID 59614448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).