3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol

C26H20N4O — CID 58547139

IUPAC3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol
SMILESOc1cccc(-c2nc3ccccc3nc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C26H20N4O/c31-20-8-5-7-18(14-20)25-26(29-23-11-4-3-10-22(23)28-25)19-15-30(16-19)24-13-12-17-6-1-2-9-21(17)27-24/h1-14,19,31H,15-16H2
InChIKeySPRYWRHFHPFKKH-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.15
Rot. Bonds3

About 3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol

3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol (PubChem CID 58547139) has the molecular formula C26H20N4O and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol.

Molecular Properties

Compound Name3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol
PubChem CID58547139
Molecular FormulaC26H20N4O
Molecular Weight404.47 g/mol
Exact Mass404.16
IUPAC Name3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol
SMILESOc1cccc(-c2nc3ccccc3nc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C26H20N4O/c31-20-8-5-7-18(14-20)25-26(29-23-11-4-3-10-22(23)28-25)19-15-30(16-19)24-13-12-17-6-1-2-9-21(17)27-24/h1-14,19,31H,15-16H2
InChIKeySPRYWRHFHPFKKH-UHFFFAOYSA-N
XLogP5.15
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol?
The IUPAC name of 3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol (CID 58547139) is 3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol.
What is the SMILES notation for 3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol?
The canonical SMILES for 3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol is Oc1cccc(-c2nc3ccccc3nc2C2CN(c3ccc4ccccc4n3)C2)c1.
What is the InChIKey of 3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol?
The InChIKey is SPRYWRHFHPFKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O/c31-20-8-5-7-18(14-20)25-26(29-23-11-4-3-10-22(23)28-25)19-15-30(16-19)24-13-12-17-6-1-2-9-21(17)27-24/h1-14,19,31H,15-16H2.
What are the key properties of 3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol?
3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol has a molecular weight of 404.47 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol is sourced from PubChem (CID 58547139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).