2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol

C17H15N3O — CID 170350851

IUPAC2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol
SMILESOc1ccccc1-c1cc2ccc(C3CNC3)cc2nn1
InChIInChI=1S/C17H15N3O/c21-17-4-2-1-3-14(17)16-8-12-6-5-11(13-9-18-10-13)7-15(12)19-20-16/h1-8,13,18,21H,9-10H2
InChIKeyUIRVEVNYLBWPCM-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.69
Rot. Bonds2

About 2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol

2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol (PubChem CID 170350851) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol.

Molecular Properties

Compound Name2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol
PubChem CID170350851
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol
SMILESOc1ccccc1-c1cc2ccc(C3CNC3)cc2nn1
InChIInChI=1S/C17H15N3O/c21-17-4-2-1-3-14(17)16-8-12-6-5-11(13-9-18-10-13)7-15(12)19-20-16/h1-8,13,18,21H,9-10H2
InChIKeyUIRVEVNYLBWPCM-UHFFFAOYSA-N
XLogP2.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol?
The IUPAC name of 2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol (CID 170350851) is 2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol.
What is the SMILES notation for 2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol?
The canonical SMILES for 2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol is Oc1ccccc1-c1cc2ccc(C3CNC3)cc2nn1.
What is the InChIKey of 2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol?
The InChIKey is UIRVEVNYLBWPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17-4-2-1-3-14(17)16-8-12-6-5-11(13-9-18-10-13)7-15(12)19-20-16/h1-8,13,18,21H,9-10H2.
What are the key properties of 2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol?
2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol has a molecular weight of 277.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol is sourced from PubChem (CID 170350851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).