2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline

C23H24N4O — CID 54675452

IUPAC2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCC1(C)C=C(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CCO1
InChIInChI=1S/C23H24N4O/c1-23(2)13-17(9-12-28-23)21-22(25-11-10-24-21)18-14-27(15-18)20-8-7-16-5-3-4-6-19(16)26-20/h3-8,10-11,13,18H,9,12,14-15H2,1-2H3
InChIKeyPWPWFZAACFIVQT-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.21
Rot. Bonds3

About 2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 54675452) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID54675452
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCC1(C)C=C(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CCO1
InChIInChI=1S/C23H24N4O/c1-23(2)13-17(9-12-28-23)21-22(25-11-10-24-21)18-14-27(15-18)20-8-7-16-5-3-4-6-19(16)26-20/h3-8,10-11,13,18H,9,12,14-15H2,1-2H3
InChIKeyPWPWFZAACFIVQT-UHFFFAOYSA-N
XLogP4.21
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 54675452) is 2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline is CC1(C)C=C(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CCO1.
What is the InChIKey of 2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is PWPWFZAACFIVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-23(2)13-17(9-12-28-23)21-22(25-11-10-24-21)18-14-27(15-18)20-8-7-16-5-3-4-6-19(16)26-20/h3-8,10-11,13,18H,9,12,14-15H2,1-2H3.
What are the key properties of 2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 372.47 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 54675452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).