3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide

C16H10Br2N2O2 — CID 52944299

IUPAC3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C16H10Br2N2O2/c17-10-6-12(15(21)13(18)7-10)16(22)20-11-5-9-3-1-2-4-14(9)19-8-11/h1-8,21H,(H,20,22)
InChIKeyUKYFBDCFPNULGA-UHFFFAOYSA-N
MW422.08 g/mol
LogP4.72
Rot. Bonds2

About 3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide

3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide (PubChem CID 52944299) has the molecular formula C16H10Br2N2O2 and a molecular weight of 422.08 g/mol. Its IUPAC name is 3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide
PubChem CID52944299
Molecular FormulaC16H10Br2N2O2
Molecular Weight422.08 g/mol
Exact Mass419.91
IUPAC Name3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C16H10Br2N2O2/c17-10-6-12(15(21)13(18)7-10)16(22)20-11-5-9-3-1-2-4-14(9)19-8-11/h1-8,21H,(H,20,22)
InChIKeyUKYFBDCFPNULGA-UHFFFAOYSA-N
XLogP4.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.08
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dibromo-6-[(quinolin-8-ylamino)methyl]phenol
CID 1994749
4-Bromo-2-[(quinolin-8-ylamino)methyl]phenol
CID 889297
5-bromo-2-methoxy-N-5-quinolinylbenzamide
CID 1254541
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
5-bromo-2-hydroxy-3-methyl-N-(quinolin-3-yl)benzamide
CID 52946718
4-Bromo-2-[(quinolin-3-ylamino)methyl]phenol
CID 929661
(2E)-1-(5-bromo-2-hydroxyphenyl)-3-(quinolin-2-yl)prop-2-en-1-one
CID 6150224
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]quinoline-3-carboxamide
CID 154588486
Benzamide, 2-hydroxy-N-3-quinolinyl-
CID 3078894

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide?
The IUPAC name of 3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide (CID 52944299) is 3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide?
The canonical SMILES for 3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide is O=C(Nc1cnc2ccccc2c1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide?
The InChIKey is UKYFBDCFPNULGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2O2/c17-10-6-12(15(21)13(18)7-10)16(22)20-11-5-9-3-1-2-4-14(9)19-8-11/h1-8,21H,(H,20,22).
What are the key properties of 3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide?
3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide has a molecular weight of 422.08 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-hydroxy-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 52944299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).