2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline

C16H13ClN4 — CID 58548445

IUPAC2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline
SMILESClc1nccnc1N1CC(c2ccc3ccccc3n2)C1
InChIInChI=1S/C16H13ClN4/c17-15-16(19-8-7-18-15)21-9-12(10-21)14-6-5-11-3-1-2-4-13(11)20-14/h1-8,12H,9-10H2
InChIKeyNTLJGDUNPBHEGW-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.28
Rot. Bonds2

About 2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline

2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline (PubChem CID 58548445) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline.

Molecular Properties

Compound Name2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline
PubChem CID58548445
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC Name2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline
SMILESClc1nccnc1N1CC(c2ccc3ccccc3n2)C1
InChIInChI=1S/C16H13ClN4/c17-15-16(19-8-7-18-15)21-9-12(10-21)14-6-5-11-3-1-2-4-13(11)20-14/h1-8,12H,9-10H2
InChIKeyNTLJGDUNPBHEGW-UHFFFAOYSA-N
XLogP3.28
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline?
The IUPAC name of 2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline (CID 58548445) is 2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline.
What is the SMILES notation for 2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline?
The canonical SMILES for 2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline is Clc1nccnc1N1CC(c2ccc3ccccc3n2)C1.
What is the InChIKey of 2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline?
The InChIKey is NTLJGDUNPBHEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4/c17-15-16(19-8-7-18-15)21-9-12(10-21)14-6-5-11-3-1-2-4-13(11)20-14/h1-8,12H,9-10H2.
What are the key properties of 2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline?
2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline has a molecular weight of 296.76 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline is sourced from PubChem (CID 58548445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).