N-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

C26H24FN3O3 — CID 60548887

IUPACN-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESN#Cc1ccc(OCC(O)CN2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)cc1
InChIInChI=1S/C26H24FN3O3/c27-20-10-8-19(9-11-20)26(32)29-24-4-1-5-25-23(24)3-2-14-30(25)16-21(31)17-33-22-12-6-18(15-28)7-13-22/h1,4-13,21,31H,2-3,14,16-17H2,(H,29,32)
InChIKeyXVCHAAJJLUCZIG-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.14
Rot. Bonds7

About N-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

N-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (PubChem CID 60548887) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
PubChem CID60548887
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC NameN-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESN#Cc1ccc(OCC(O)CN2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)cc1
InChIInChI=1S/C26H24FN3O3/c27-20-10-8-19(9-11-20)26(32)29-24-4-1-5-25-23(24)3-2-14-30(25)16-21(31)17-33-22-12-6-18(15-28)7-13-22/h1,4-13,21,31H,2-3,14,16-17H2,(H,29,32)
InChIKeyXVCHAAJJLUCZIG-UHFFFAOYSA-N
XLogP4.14
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide with MolForge

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Related Compounds

N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548609
4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548756
4-fluoro-N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548479
N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 55978500
N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 52725585
4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548636
4-fluoro-N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548822
N-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548513
4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide
CID 38748673
N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978757
4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55977869
N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55977616

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (CID 60548887) is N-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is N#Cc1ccc(OCC(O)CN2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)cc1.
What is the InChIKey of N-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The InChIKey is XVCHAAJJLUCZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c27-20-10-8-19(9-11-20)26(32)29-24-4-1-5-25-23(24)3-2-14-30(25)16-21(31)17-33-22-12-6-18(15-28)7-13-22/h1,4-13,21,31H,2-3,14,16-17H2,(H,29,32).
What are the key properties of N-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
N-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide has a molecular weight of 445.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 60548887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).