methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate

C24H20N4O2 — CID 58547607

IUPACmethyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C24H20N4O2/c1-30-24(29)18-8-6-17(7-9-18)22-23(26-13-12-25-22)19-14-28(15-19)21-11-10-16-4-2-3-5-20(16)27-21/h2-13,19H,14-15H2,1H3
InChIKeyJJTVLWLTUFXDLR-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.08
Rot. Bonds4

About methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate

methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate (PubChem CID 58547607) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate
PubChem CID58547607
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Namemethyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C24H20N4O2/c1-30-24(29)18-8-6-17(7-9-18)22-23(26-13-12-25-22)19-14-28(15-19)21-11-10-16-4-2-3-5-20(16)27-21/h2-13,19H,14-15H2,1H3
InChIKeyJJTVLWLTUFXDLR-UHFFFAOYSA-N
XLogP4.08
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
CID 58546781
N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
CID 58546915
2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547501
2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid
CID 67468043
2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile
CID 54675484
2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide
CID 58547374
N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
CID 58546783
2-cyclopropyl-1-[3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone
CID 58547295
4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine
CID 58547400
[2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine
CID 150824984
tert-butyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-1-carboxylate
CID 58547533
[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]azetidin-3-yl] N-tert-butylcarbamate
CID 174701613

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate?
The IUPAC name of methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate (CID 58547607) is methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate?
The canonical SMILES for methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate is COC(=O)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate?
The InChIKey is JJTVLWLTUFXDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-30-24(29)18-8-6-17(7-9-18)22-23(26-13-12-25-22)19-14-28(15-19)21-11-10-16-4-2-3-5-20(16)27-21/h2-13,19H,14-15H2,1H3.
What are the key properties of methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate?
methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate has a molecular weight of 396.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate is sourced from PubChem (CID 58547607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).