3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide

C16H11ClN2O2 — CID 52948961

IUPAC3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cccc(Cl)c1O
InChIInChI=1S/C16H11ClN2O2/c17-13-6-3-5-12(15(13)20)16(21)19-11-8-10-4-1-2-7-14(10)18-9-11/h1-9,20H,(H,19,21)
InChIKeyAKKSWUMRPICRGP-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.85
Rot. Bonds2

About 3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide

3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide (PubChem CID 52948961) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide
PubChem CID52948961
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cccc(Cl)c1O
InChIInChI=1S/C16H11ClN2O2/c17-13-6-3-5-12(15(13)20)16(21)19-11-8-10-4-1-2-7-14(10)18-9-11/h1-9,20H,(H,19,21)
InChIKeyAKKSWUMRPICRGP-UHFFFAOYSA-N
XLogP3.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide?
The IUPAC name of 3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide (CID 52948961) is 3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide?
The canonical SMILES for 3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide is O=C(Nc1cnc2ccccc2c1)c1cccc(Cl)c1O.
What is the InChIKey of 3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide?
The InChIKey is AKKSWUMRPICRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-13-6-3-5-12(15(13)20)16(21)19-11-8-10-4-1-2-7-14(10)18-9-11/h1-9,20H,(H,19,21).
What are the key properties of 3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide?
3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide has a molecular weight of 298.73 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 52948961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).