N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide

C23H23FN2O3 — CID 87101825

IUPACN-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC1(c2cc(F)c(NC(=O)c3c[nH]c4ccccc4c3=O)cc2O)CCCCC1
InChIInChI=1S/C23H23FN2O3/c1-23(9-5-2-6-10-23)16-11-17(24)19(12-20(16)27)26-22(29)15-13-25-18-8-4-3-7-14(18)21(15)28/h3-4,7-8,11-13,27H,2,5-6,9-10H2,1H3,(H,25,28)(H,26,29)
InChIKeyVOARPNGQFYFFOR-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.85
Rot. Bonds3

About N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 87101825) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID87101825
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC NameN-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC1(c2cc(F)c(NC(=O)c3c[nH]c4ccccc4c3=O)cc2O)CCCCC1
InChIInChI=1S/C23H23FN2O3/c1-23(9-5-2-6-10-23)16-11-17(24)19(12-20(16)27)26-22(29)15-13-25-18-8-4-3-7-14(18)21(15)28/h3-4,7-8,11-13,27H,2,5-6,9-10H2,1H3,(H,25,28)(H,26,29)
InChIKeyVOARPNGQFYFFOR-UHFFFAOYSA-N
XLogP4.85
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-adamantyl)-2-fluoro-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 87101810
N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 30131667
N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 53247257
N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828
N-(4-tert-butyl-2-ethyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87461578
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-[2,4-bis(1,1-diiodo-2-methylpropan-2-yl)-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 130421660
N-[4-[dimethyl(trideuteriomethyl)silyl]-5-hydroxy-2-[methyl-bis(trideuteriomethyl)silyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 161023166
N-[4-tert-butyl-2-[tert-butyl(dimethyl)-λ4-sulfanyl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 138650069
N-[2-tert-butyl-5-hydroxy-4-(2-methylbutan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 59544162
N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide
CID 62519123
N-[2-tert-butyl-4-[diethyl(methyl)-λ4-sulfanyl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 138649676

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide (CID 87101825) is N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide is CC1(c2cc(F)c(NC(=O)c3c[nH]c4ccccc4c3=O)cc2O)CCCCC1.
What is the InChIKey of N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is VOARPNGQFYFFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-23(9-5-2-6-10-23)16-11-17(24)19(12-20(16)27)26-22(29)15-13-25-18-8-4-3-7-14(18)21(15)28/h3-4,7-8,11-13,27H,2,5-6,9-10H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 87101825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).