[1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol

C22H24ClN5O — CID 58546728

IUPAC[1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2C2CN(c3ccc4cc(Cl)ccc4n3)C2)CC1
InChIInChI=1S/C22H24ClN5O/c23-18-2-3-19-16(11-18)1-4-20(26-19)28-12-17(13-28)21-22(25-8-7-24-21)27-9-5-15(14-29)6-10-27/h1-4,7-8,11,15,17,29H,5-6,9-10,12-14H2
InChIKeyJTHDZVTVEWRAKV-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.49
Rot. Bonds4

About [1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 58546728) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is [1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID58546728
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name[1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2C2CN(c3ccc4cc(Cl)ccc4n3)C2)CC1
InChIInChI=1S/C22H24ClN5O/c23-18-2-3-19-16(11-18)1-4-20(26-19)28-12-17(13-28)21-22(25-8-7-24-21)27-9-5-15(14-29)6-10-27/h1-4,7-8,11,15,17,29H,5-6,9-10,12-14H2
InChIKeyJTHDZVTVEWRAKV-UHFFFAOYSA-N
XLogP3.49
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol (CID 58546728) is [1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nccnc2C2CN(c3ccc4cc(Cl)ccc4n3)C2)CC1.
What is the InChIKey of [1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is JTHDZVTVEWRAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c23-18-2-3-19-16(11-18)1-4-20(26-19)28-12-17(13-28)21-22(25-8-7-24-21)27-9-5-15(14-29)6-10-27/h1-4,7-8,11,15,17,29H,5-6,9-10,12-14H2.
What are the key properties of [1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 409.92 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58546728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).