2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline

C21H17N5 — CID 58546771

IUPAC2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline
SMILESc1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C21H17N5/c1-2-6-18-15(4-1)7-8-19(25-18)26-13-17(14-26)21-20(23-10-11-24-21)16-5-3-9-22-12-16/h1-12,17H,13-14H2
InChIKeyNCCZRGLAOHWLIZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.69
Rot. Bonds3

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

2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline (PubChem CID 58546771) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline
PubChem CID58546771
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline
SMILESc1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C21H17N5/c1-2-6-18-15(4-1)7-8-19(25-18)26-13-17(14-26)21-20(23-10-11-24-21)16-5-3-9-22-12-16/h1-12,17H,13-14H2
InChIKeyNCCZRGLAOHWLIZ-UHFFFAOYSA-N
XLogP3.69
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
3-Imidazol-1-yl-quinoline
CID 12354256
2,3-Diphenylpyrido[2,3-b]pyrazine
CID 817566
4-(4-Methylpiperazino)-2-(2-pyridyl)quinoline
CID 453063
Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-
CID 453068
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
4-Anilino quinazoline deriv. 18
CID 5328017
N-benzylpyrido[3,2-d]pyrimidin-4-amine
CID 5328272
N-{7-[4-(Dimethylamino)phenyl]-1,6-Naphthyridin-5-Yl}propane-1,3-Diamine
CID 9818573

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline (CID 58546771) is 2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline is c1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1.
What is the InChIKey of 2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline?
The InChIKey is NCCZRGLAOHWLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-2-6-18-15(4-1)7-8-19(25-18)26-13-17(14-26)21-20(23-10-11-24-21)16-5-3-9-22-12-16/h1-12,17H,13-14H2.
What are the key properties of 2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline?
2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline has a molecular weight of 339.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline is sourced from PubChem (CID 58546771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).