4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline

C22H19N5 — CID 58546781

IUPAC4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
SMILESNc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C22H19N5/c23-18-8-5-16(6-9-18)21-22(25-12-11-24-21)17-13-27(14-17)20-10-7-15-3-1-2-4-19(15)26-20/h1-12,17H,13-14,23H2
InChIKeyNWSXHIAJISVPGL-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.88
Rot. Bonds3

About 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline

4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline (PubChem CID 58546781) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline.

Molecular Properties

Compound Name4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
PubChem CID58546781
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
SMILESNc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C22H19N5/c23-18-8-5-16(6-9-18)21-22(25-12-11-24-21)17-13-27(14-17)20-10-7-15-3-1-2-4-19(15)26-20/h1-12,17H,13-14,23H2
InChIKeyNWSXHIAJISVPGL-UHFFFAOYSA-N
XLogP3.88
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
CID 58546915
methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate
CID 58547607
2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile
CID 54675484
[2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine
CID 150824984
N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
CID 58546783
2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547501
2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide
CID 58547374
4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine
CID 58547400
2-fluoro-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline;2-[3-(3-piperidin-1-ylpyrazin-2-yl)azetidin-1-yl]quinoline
CID 157217416
2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546852
2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid
CID 67468043
2-cyclopropyl-1-[3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone
CID 58547295

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline?
The IUPAC name of 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline (CID 58546781) is 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline.
What is the SMILES notation for 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline?
The canonical SMILES for 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline is Nc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline?
The InChIKey is NWSXHIAJISVPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c23-18-8-5-16(6-9-18)21-22(25-12-11-24-21)17-13-27(14-17)20-10-7-15-3-1-2-4-19(15)26-20/h1-12,17H,13-14,23H2.
What are the key properties of 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline?
4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline has a molecular weight of 353.43 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline is sourced from PubChem (CID 58546781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).