2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline

C22H19N5O — CID 58547505

IUPAC2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCOc1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C22H19N5O/c1-28-18-10-16(11-23-12-18)21-22(25-9-8-24-21)17-13-27(14-17)20-7-6-15-4-2-3-5-19(15)26-20/h2-12,17H,13-14H2,1H3
InChIKeyIQAPZWWGXDDWNB-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.70
Rot. Bonds4

About 2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58547505) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58547505
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCOc1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C22H19N5O/c1-28-18-10-16(11-23-12-18)21-22(25-9-8-24-21)17-13-27(14-17)20-7-6-15-4-2-3-5-19(15)26-20/h2-12,17H,13-14H2,1H3
InChIKeyIQAPZWWGXDDWNB-UHFFFAOYSA-N
XLogP3.70
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58547505) is 2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline is COc1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1.
What is the InChIKey of 2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is IQAPZWWGXDDWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-28-18-10-16(11-23-12-18)21-22(25-9-8-24-21)17-13-27(14-17)20-7-6-15-4-2-3-5-19(15)26-20/h2-12,17H,13-14H2,1H3.
What are the key properties of 2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 369.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58547505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).