[1-[3-[1-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol

C22H24ClN5O — CID 58546803

IUPAC[1-[3-[1-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2C2CN(c3ccc4cccc(Cl)c4n3)C2)CC1
InChIInChI=1S/C22H24ClN5O/c23-18-3-1-2-16-4-5-19(26-20(16)18)28-12-17(13-28)21-22(25-9-8-24-21)27-10-6-15(14-29)7-11-27/h1-5,8-9,15,17,29H,6-7,10-14H2
InChIKeyAZPWPICLMIPBTH-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.49
Rot. Bonds4

About [1-[3-[1-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-[1-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 58546803) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is [1-[3-[1-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[1-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID58546803
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name[1-[3-[1-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2C2CN(c3ccc4cccc(Cl)c4n3)C2)CC1
InChIInChI=1S/C22H24ClN5O/c23-18-3-1-2-16-4-5-19(26-20(16)18)28-12-17(13-28)21-22(25-9-8-24-21)27-10-6-15(14-29)7-11-27/h1-5,8-9,15,17,29H,6-7,10-14H2
InChIKeyAZPWPICLMIPBTH-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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Related Compounds

2-[4-[7-(2-Chloro-6-methylanilino)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-12-yl]piperazin-1-yl]ethanol
CID 11385074
2-[3-[3-(3-Chloro-5-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 54675303
2-[3-(3-Pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline
CID 58546771
2-[3-[3-(3-Chloro-4-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546774
[1-[3-[1-(7-Chloroquinoxalin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 58546776
[1-[3-[1-(7-Fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 58546842
2-[3-[3-(3,4-Dichlorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546968
[1-[3-[1-(7-Chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 58547019
2-[3-[3-(3-Chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547165
2-[3-[3-(4-Methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547268
2-[3-[3-(4-Chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547359
3-[6-[4-(Hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
CID 10246912

Frequently Asked Questions

What is the IUPAC name of [1-[3-[1-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[1-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol (CID 58546803) is [1-[3-[1-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[1-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[1-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nccnc2C2CN(c3ccc4cccc(Cl)c4n3)C2)CC1.
What is the InChIKey of [1-[3-[1-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is AZPWPICLMIPBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c23-18-3-1-2-16-4-5-19(26-20(16)18)28-12-17(13-28)21-22(25-9-8-24-21)27-10-6-15(14-29)7-11-27/h1-5,8-9,15,17,29H,6-7,10-14H2.
What are the key properties of [1-[3-[1-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[1-(8-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-(8-chloroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58546803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).