[3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol

C23H20N4O — CID 54675482

IUPAC[3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C23H20N4O/c28-15-16-4-3-6-18(12-16)22-23(25-11-10-24-22)19-13-27(14-19)21-9-8-17-5-1-2-7-20(17)26-21/h1-12,19,28H,13-15H2
InChIKeyVNXCVOQUEILDLL-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.79
Rot. Bonds4

About [3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol

[3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol (PubChem CID 54675482) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is [3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol
PubChem CID54675482
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name[3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C23H20N4O/c28-15-16-4-3-6-18(12-16)22-23(25-11-10-24-22)19-13-27(14-19)21-9-8-17-5-1-2-7-20(17)26-21/h1-12,19,28H,13-15H2
InChIKeyVNXCVOQUEILDLL-UHFFFAOYSA-N
XLogP3.79
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinolin-3-yl]-methanol
CID 44286632
2-Methyl-1-[2-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]propan-1-ol
CID 11744303
[3-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol
CID 58547801
2-[3-[3-(4-Methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 54675428
2-[3-[3-(6-Methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546779
2-[3-[3-[3-Methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546808
[1-[3-[1-(7-Fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 58546842
2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546860
2-[3-[3-(6-Methoxy-2-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546866
2-[3-[3-(4-Fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547064
2-[3-[3-(6,6-Dimethyl-2,5-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547091
3-[3-(1-Quinolin-2-ylazetidin-3-yl)quinoxalin-2-yl]phenol
CID 58547139

Frequently Asked Questions

What is the IUPAC name of [3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol?
The IUPAC name of [3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol (CID 54675482) is [3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol is OCc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1.
What is the InChIKey of [3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol?
The InChIKey is VNXCVOQUEILDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c28-15-16-4-3-6-18(12-16)22-23(25-11-10-24-22)19-13-27(14-19)21-9-8-17-5-1-2-7-20(17)26-21/h1-12,19,28H,13-15H2.
What are the key properties of [3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol?
[3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanol has a molecular weight of 368.44 g/mol, XLogP of 3.79, 4 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)pyrazin-2-yl]phenyl]methanol is sourced from PubChem (CID 54675482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).