3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol

C22H14N2O2 — CID 137218432

IUPAC3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol
SMILESOc1ccc2cc(-c3ccc4noc(-c5ccccc5)c4c3)cnc2c1
InChIInChI=1S/C22H14N2O2/c25-18-8-6-16-10-17(13-23-21(16)12-18)15-7-9-20-19(11-15)22(26-24-20)14-4-2-1-3-5-14/h1-13,25H
InChIKeyLPDQFRIESJBLBM-UHFFFAOYSA-N
MW338.37 g/mol
LogP5.42
Rot. Bonds2

About 3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol

3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol (PubChem CID 137218432) has the molecular formula C22H14N2O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol.

Molecular Properties

Compound Name3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol
PubChem CID137218432
Molecular FormulaC22H14N2O2
Molecular Weight338.37 g/mol
Exact Mass338.11
IUPAC Name3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol
SMILESOc1ccc2cc(-c3ccc4noc(-c5ccccc5)c4c3)cnc2c1
InChIInChI=1S/C22H14N2O2/c25-18-8-6-16-10-17(13-23-21(16)12-18)15-7-9-20-19(11-15)22(26-24-20)14-4-2-1-3-5-14/h1-13,25H
InChIKeyLPDQFRIESJBLBM-UHFFFAOYSA-N
XLogP5.42
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol?
The IUPAC name of 3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol (CID 137218432) is 3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol.
What is the SMILES notation for 3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol?
The canonical SMILES for 3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol is Oc1ccc2cc(-c3ccc4noc(-c5ccccc5)c4c3)cnc2c1.
What is the InChIKey of 3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol?
The InChIKey is LPDQFRIESJBLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2/c25-18-8-6-16-10-17(13-23-21(16)12-18)15-7-9-20-19(11-15)22(26-24-20)14-4-2-1-3-5-14/h1-13,25H.
What are the key properties of 3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol?
3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol has a molecular weight of 338.37 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol is sourced from PubChem (CID 137218432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).