2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline

C23H21N5O2 — CID 58546826

IUPAC2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c(OC)n1
InChIInChI=1S/C23H21N5O2/c1-29-20-10-8-17(23(27-20)30-2)22-21(24-11-12-25-22)16-13-28(14-16)19-9-7-15-5-3-4-6-18(15)26-19/h3-12,16H,13-14H2,1-2H3
InChIKeyQEGVNBGSRQQJNH-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.71
Rot. Bonds5

About 2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58546826) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58546826
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c(OC)n1
InChIInChI=1S/C23H21N5O2/c1-29-20-10-8-17(23(27-20)30-2)22-21(24-11-12-25-22)16-13-28(14-16)19-9-7-15-5-3-4-6-18(15)26-19/h3-12,16H,13-14H2,1-2H3
InChIKeyQEGVNBGSRQQJNH-UHFFFAOYSA-N
XLogP3.71
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58546826) is 2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline is COc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c(OC)n1.
What is the InChIKey of 2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is QEGVNBGSRQQJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-29-20-10-8-17(23(27-20)30-2)22-21(24-11-12-25-22)16-13-28(14-16)19-9-7-15-5-3-4-6-18(15)26-19/h3-12,16H,13-14H2,1-2H3.
What are the key properties of 2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 399.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58546826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).