5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one

C17H11ClN2O3 — CID 155544133

IUPAC5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc(Cl)cc2n1Cc1ccc(O)c2ncccc12
InChIInChI=1S/C17H11ClN2O3/c18-11-4-6-15-13(8-11)20(17(22)23-15)9-10-3-5-14(21)16-12(10)2-1-7-19-16/h1-8,21H,9H2
InChIKeyYXJNDTUHHXQKNL-UHFFFAOYSA-N
MW326.74 g/mol
LogP3.55
Rot. Bonds2

About 5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one

5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 155544133) has the molecular formula C17H11ClN2O3 and a molecular weight of 326.74 g/mol. Its IUPAC name is 5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID155544133
Molecular FormulaC17H11ClN2O3
Molecular Weight326.74 g/mol
Exact Mass326.05
IUPAC Name5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc(Cl)cc2n1Cc1ccc(O)c2ncccc12
InChIInChI=1S/C17H11ClN2O3/c18-11-4-6-15-13(8-11)20(17(22)23-15)9-10-3-5-14(21)16-12(10)2-1-7-19-16/h1-8,21H,9H2
InChIKeyYXJNDTUHHXQKNL-UHFFFAOYSA-N
XLogP3.55
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one (CID 155544133) is 5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one is O=c1oc2ccc(Cl)cc2n1Cc1ccc(O)c2ncccc12.
What is the InChIKey of 5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is YXJNDTUHHXQKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3/c18-11-4-6-15-13(8-11)20(17(22)23-15)9-10-3-5-14(21)16-12(10)2-1-7-19-16/h1-8,21H,9H2.
What are the key properties of 5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one?
5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 326.74 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(8-hydroxyquinolin-5-yl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 155544133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).