2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

C22H16Cl2N4 — CID 58546968

IUPAC2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESClc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl
InChIInChI=1S/C22H16Cl2N4/c23-17-7-5-15(11-18(17)24)21-22(26-10-9-25-21)16-12-28(13-16)20-8-6-14-3-1-2-4-19(14)27-20/h1-11,16H,12-13H2
InChIKeyYCYDGKBZNLZVGS-UHFFFAOYSA-N
MW407.30 g/mol
LogP5.60
Rot. Bonds3

About 2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58546968) has the molecular formula C22H16Cl2N4 and a molecular weight of 407.30 g/mol. Its IUPAC name is 2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58546968
Molecular FormulaC22H16Cl2N4
Molecular Weight407.30 g/mol
Exact Mass406.08
IUPAC Name2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESClc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl
InChIInChI=1S/C22H16Cl2N4/c23-17-7-5-15(11-18(17)24)21-22(26-10-9-25-21)16-12-28(13-16)20-8-6-14-3-1-2-4-19(14)27-20/h1-11,16H,12-13H2
InChIKeyYCYDGKBZNLZVGS-UHFFFAOYSA-N
XLogP5.60
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.30
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58546968) is 2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is Clc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl.
What is the InChIKey of 2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is YCYDGKBZNLZVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4/c23-17-7-5-15(11-18(17)24)21-22(26-10-9-25-21)16-12-28(13-16)20-8-6-14-3-1-2-4-19(14)27-20/h1-11,16H,12-13H2.
What are the key properties of 2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 407.30 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,4-dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58546968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).