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

C30H29FN2O3 — CID 59614449

IUPAC1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone
SMILESO=C(Cc1ccc(OCCCc2cccnc2)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C30H29FN2O3/c31-25-17-24(18-26(20-25)33-12-15-35-16-13-33)29(34)19-23-9-10-30(28-8-2-1-7-27(23)28)36-14-4-6-22-5-3-11-32-21-22/h1-3,5,7-11,17-18,20-21H,4,6,12-16,19H2
InChIKeyNCJYLSXFXHBGTI-UHFFFAOYSA-N
MW484.57 g/mol
LogP5.65
Rot. Bonds9

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

1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone (PubChem CID 59614449) has the molecular formula C30H29FN2O3 and a molecular weight of 484.57 g/mol. Its IUPAC name is 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone
PubChem CID59614449
Molecular FormulaC30H29FN2O3
Molecular Weight484.57 g/mol
Exact Mass484.22
IUPAC Name1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone
SMILESO=C(Cc1ccc(OCCCc2cccnc2)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C30H29FN2O3/c31-25-17-24(18-26(20-25)33-12-15-35-16-13-33)29(34)19-23-9-10-30(28-8-2-1-7-27(23)28)36-14-4-6-22-5-3-11-32-21-22/h1-3,5,7-11,17-18,20-21H,4,6,12-16,19H2
InChIKeyNCJYLSXFXHBGTI-UHFFFAOYSA-N
XLogP5.65
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.57
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59553166
3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide
CID 59553278
3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937575
8-methyl-2-morpholin-4-yl-7-(pyridin-3-ylmethoxy)chromen-4-one
CID 15650862
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 24965753
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one
CID 110634578
3-pyridin-3-ylpropyl 2-morpholin-4-yl-5-nitrobenzoate
CID 55331489
3-fluoro-N-[4-[2-(2-methoxyethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]-5-morpholin-4-ylbenzamide
CID 59553354
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
N-(1,3-benzodioxol-5-ylmethyl)-4-[5-[4-(3-fluoro-5-morpholin-4-ylphenyl)-4-oxobutyl]-2-methyl-3-pyridinyl]benzamide
CID 143628444
3-fluoro-N-[4-(2-methylsulfonylpyrimidin-4-yl)oxynaphthalen-1-yl]-5-morpholin-4-ylbenzamide
CID 59553095

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone?
The IUPAC name of 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone (CID 59614449) is 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone.
What is the SMILES notation for 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone?
The canonical SMILES for 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone is O=C(Cc1ccc(OCCCc2cccnc2)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone?
The InChIKey is NCJYLSXFXHBGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN2O3/c31-25-17-24(18-26(20-25)33-12-15-35-16-13-33)29(34)19-23-9-10-30(28-8-2-1-7-27(23)28)36-14-4-6-22-5-3-11-32-21-22/h1-3,5,7-11,17-18,20-21H,4,6,12-16,19H2.
What are the key properties of 1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone?
1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone has a molecular weight of 484.57 g/mol, XLogP of 5.65, 9 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-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone is sourced from PubChem (CID 59614449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).