N-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide

C26H21FN2O5 — CID 159836881

IUPACN-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide
SMILESCc1c(O)cc(CC(=O)COc2ccc(NC(=O)c3cccc(F)c3)c3cccnc23)cc1O
InChIInChI=1S/C26H21FN2O5/c1-15-22(31)11-16(12-23(15)32)10-19(30)14-34-24-8-7-21(20-6-3-9-28-25(20)24)29-26(33)17-4-2-5-18(27)13-17/h2-9,11-13,31-32H,10,14H2,1H3,(H,29,33)
InChIKeyMBKQGPSACBJLFJ-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.54
Rot. Bonds7

About N-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide

N-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide (PubChem CID 159836881) has the molecular formula C26H21FN2O5 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide
PubChem CID159836881
Molecular FormulaC26H21FN2O5
Molecular Weight460.46 g/mol
Exact Mass460.14
IUPAC NameN-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide
SMILESCc1c(O)cc(CC(=O)COc2ccc(NC(=O)c3cccc(F)c3)c3cccnc23)cc1O
InChIInChI=1S/C26H21FN2O5/c1-15-22(31)11-16(12-23(15)32)10-19(30)14-34-24-8-7-21(20-6-3-9-28-25(20)24)29-26(33)17-4-2-5-18(27)13-17/h2-9,11-13,31-32H,10,14H2,1H3,(H,29,33)
InChIKeyMBKQGPSACBJLFJ-UHFFFAOYSA-N
XLogP4.54
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(8-methoxyquinolin-5-yl)-3-methylbenzamide
CID 26823022
methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate
CID 75429912
N-(8-methoxyquinolin-5-yl)-3-propoxybenzamide
CID 26823105
3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 2112106
3-fluoro-N-(2-methoxy-3-pyridinyl)benzamide
CID 47038518
3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide
CID 26823282
2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide
CID 71886791
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316
1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone
CID 43226497
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
methyl 2-[5-[3-(2,6-difluorophenyl)prop-2-enoylamino]quinolin-8-yl]oxyacetate
CID 71847241
N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide
CID 167545651

Frequently Asked Questions

What is the IUPAC name of N-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide?
The IUPAC name of N-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide (CID 159836881) is N-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide?
The canonical SMILES for N-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide is Cc1c(O)cc(CC(=O)COc2ccc(NC(=O)c3cccc(F)c3)c3cccnc23)cc1O.
What is the InChIKey of N-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide?
The InChIKey is MBKQGPSACBJLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O5/c1-15-22(31)11-16(12-23(15)32)10-19(30)14-34-24-8-7-21(20-6-3-9-28-25(20)24)29-26(33)17-4-2-5-18(27)13-17/h2-9,11-13,31-32H,10,14H2,1H3,(H,29,33).
What are the key properties of N-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide?
N-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide has a molecular weight of 460.46 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide is sourced from PubChem (CID 159836881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).