6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide

C20H18BrFN2O3 — CID 163937820

IUPAC6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2cc(Br)ccc21
InChIInChI=1S/C20H18BrFN2O3/c1-11(2)10-24-16-7-6-12(21)8-15(16)18(25)17(20(24)27)19(26)23-14-5-3-4-13(22)9-14/h3-9,11,25H,10H2,1-2H3,(H,23,26)
InChIKeyROHXHAQXEDCZSG-UHFFFAOYSA-N
MW433.28 g/mol
LogP4.52
Rot. Bonds4

About 6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide

6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide (PubChem CID 163937820) has the molecular formula C20H18BrFN2O3 and a molecular weight of 433.28 g/mol. Its IUPAC name is 6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
PubChem CID163937820
Molecular FormulaC20H18BrFN2O3
Molecular Weight433.28 g/mol
Exact Mass432.05
IUPAC Name6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2cc(Br)ccc21
InChIInChI=1S/C20H18BrFN2O3/c1-11(2)10-24-16-7-6-12(21)8-15(16)18(25)17(20(24)27)19(26)23-14-5-3-4-13(22)9-14/h3-9,11,25H,10H2,1-2H3,(H,23,26)
InChIKeyROHXHAQXEDCZSG-UHFFFAOYSA-N
XLogP4.52
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.28
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678823
N-(3-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54679607
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyridin-4-ylquinoline-3-carboxamide
CID 54676097
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 163988927
7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 166859992
N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54682095
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide
CID 54676093
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
1-benzyl-N-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727010
N-(3-fluorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734443
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide (CID 163937820) is 6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide is CC(C)Cn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is ROHXHAQXEDCZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN2O3/c1-11(2)10-24-16-7-6-12(21)8-15(16)18(25)17(20(24)27)19(26)23-14-5-3-4-13(22)9-14/h3-9,11,25H,10H2,1-2H3,(H,23,26).
What are the key properties of 6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 433.28 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 163937820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).