5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide

C17H13BrN2O2 — CID 52946718

IUPAC5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cnc3ccccc3c2)c1O
InChIInChI=1S/C17H13BrN2O2/c1-10-6-12(18)8-14(16(10)21)17(22)20-13-7-11-4-2-3-5-15(11)19-9-13/h2-9,21H,1H3,(H,20,22)
InChIKeyWTRGZQWCALKIIF-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.26
Rot. Bonds2

About 5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide

5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide (PubChem CID 52946718) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide
PubChem CID52946718
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cnc3ccccc3c2)c1O
InChIInChI=1S/C17H13BrN2O2/c1-10-6-12(18)8-14(16(10)21)17(22)20-13-7-11-4-2-3-5-15(11)19-9-13/h2-9,21H,1H3,(H,20,22)
InChIKeyWTRGZQWCALKIIF-UHFFFAOYSA-N
XLogP4.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N-pyridin-3-yl-2-naphthamide
CID 5303059
4-Bromo-2-[(quinolin-8-ylamino)methyl]phenol
CID 889297
5-bromo-2-methoxy-N-5-quinolinylbenzamide
CID 1254541
N-(5-bromoquinolin-8-yl)-2-methoxybenzamide
CID 1322110
2-hydroxy-N'-[(E)-quinolin-8-ylmethylidene]benzohydrazide
CID 9653239
5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide
CID 130421741
2,4-Dibromo-6-[(quinolin-3-ylamino)methyl]phenol
CID 1989794
2-hydroxy-3-methyl-N-(quinolin-8-yl)benzamide
CID 43176565
2-hydroxy-4-methyl-N-(quinolin-8-yl)benzamide
CID 43176566
2-hydroxy-3-methyl-N-(quinolin-3-yl)benzamide
CID 52940666
3,5-dibromo-2-hydroxy-N-(quinolin-3-yl)benzamide
CID 52944299
3-chloro-2-hydroxy-N-(quinolin-3-yl)benzamide
CID 52948961

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide?
The IUPAC name of 5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide (CID 52946718) is 5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide?
The canonical SMILES for 5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide is Cc1cc(Br)cc(C(=O)Nc2cnc3ccccc3c2)c1O.
What is the InChIKey of 5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide?
The InChIKey is WTRGZQWCALKIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-10-6-12(18)8-14(16(10)21)17(22)20-13-7-11-4-2-3-5-15(11)19-9-13/h2-9,21H,1H3,(H,20,22).
What are the key properties of 5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide?
5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide has a molecular weight of 357.21 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-3-methyl-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 52946718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).