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

C22H19N5 — CID 58547006

IUPAC2-[3-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCc1ncccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C22H19N5/c1-15-18(6-4-10-23-15)22-21(24-11-12-25-22)17-13-27(14-17)20-9-8-16-5-2-3-7-19(16)26-20/h2-12,17H,13-14H2,1H3
InChIKeyVVEZUWRDOPUAKM-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.00
Rot. Bonds3

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

2-[3-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58547006) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[3-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58547006
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name2-[3-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCc1ncccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C22H19N5/c1-15-18(6-4-10-23-15)22-21(24-11-12-25-22)17-13-27(14-17)20-9-8-16-5-2-3-7-19(16)26-20/h2-12,17H,13-14H2,1H3
InChIKeyVVEZUWRDOPUAKM-UHFFFAOYSA-N
XLogP4.00
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-Methylquipazine
CID 5013
Sri-9439
CID 446752
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
4-Anilino quinazoline deriv. 18
CID 5328017
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
2,3-Diphenylpyrido[2,3-b]pyrazine
CID 817566
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
4-(4-Methylpiperazino)-2-(2-pyridyl)quinoline
CID 453063
Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-
CID 453068

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58547006) is 2-[3-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline is Cc1ncccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1.
What is the InChIKey of 2-[3-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is VVEZUWRDOPUAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-15-18(6-4-10-23-15)22-21(24-11-12-25-22)17-13-27(14-17)20-9-8-16-5-2-3-7-19(16)26-20/h2-12,17H,13-14H2,1H3.
What are the key properties of 2-[3-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 353.43 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58547006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).