2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

C24H22N4O — CID 54675428

IUPAC2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1C
InChIInChI=1S/C24H22N4O/c1-16-13-18(7-9-21(16)29-2)23-24(26-12-11-25-23)19-14-28(15-19)22-10-8-17-5-3-4-6-20(17)27-22/h3-13,19H,14-15H2,1-2H3
InChIKeyRWKHALRIRXPTHN-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.61
Rot. Bonds4

About 2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 54675428) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID54675428
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1C
InChIInChI=1S/C24H22N4O/c1-16-13-18(7-9-21(16)29-2)23-24(26-12-11-25-23)19-14-28(15-19)22-10-8-17-5-3-4-6-20(17)27-22/h3-13,19H,14-15H2,1-2H3
InChIKeyRWKHALRIRXPTHN-UHFFFAOYSA-N
XLogP4.61
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 54675428) is 2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is COc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1C.
What is the InChIKey of 2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is RWKHALRIRXPTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-16-13-18(7-9-21(16)29-2)23-24(26-12-11-25-23)19-14-28(15-19)22-10-8-17-5-3-4-6-20(17)27-22/h3-13,19H,14-15H2,1-2H3.
What are the key properties of 2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 382.47 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 54675428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).