6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

C17H14BrN3O3 — CID 54698101

IUPAC6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2c(O)c3cc(Br)ccc3[nH]c2=O)c1
InChIInChI=1S/C17H14BrN3O3/c1-8-5-9(2)19-13(6-8)21-17(24)14-15(22)11-7-10(18)3-4-12(11)20-16(14)23/h3-7H,1-2H3,(H,19,21,24)(H2,20,22,23)
InChIKeyKMAOOKSEHUZBOP-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.26
Rot. Bonds2

About 6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54698101) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is 6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54698101
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC Name6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2c(O)c3cc(Br)ccc3[nH]c2=O)c1
InChIInChI=1S/C17H14BrN3O3/c1-8-5-9(2)19-13(6-8)21-17(24)14-15(22)11-7-10(18)3-4-12(11)20-16(14)23/h3-7H,1-2H3,(H,19,21,24)(H2,20,22,23)
InChIKeyKMAOOKSEHUZBOP-UHFFFAOYSA-N
XLogP3.26
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(4,6-dimethyl-2-pyridinyl)-2-hydroxybenzamide
CID 114932587
4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide
CID 54689632
2,6-dichloro-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 5099860
N-(4,6-dimethyl-2-pyridinyl)-2-hydroxybenzamide
CID 13440640
N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54679528
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide
CID 115750615
3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 114931712
4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide
CID 176509093
N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54706964
4-hydroxy-N-naphthalen-1-yl-2-oxo-1H-quinoline-3-carboxamide
CID 54686480
N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide
CID 22105775
7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 114931643

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 54698101) is 6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is Cc1cc(C)nc(NC(=O)c2c(O)c3cc(Br)ccc3[nH]c2=O)c1.
What is the InChIKey of 6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is KMAOOKSEHUZBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c1-8-5-9(2)19-13(6-8)21-17(24)14-15(22)11-7-10(18)3-4-12(11)20-16(14)23/h3-7H,1-2H3,(H,19,21,24)(H2,20,22,23).
What are the key properties of 6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 388.22 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54698101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).