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

C23H27N5O — CID 58546937

IUPAC[1-[3-[1-(8-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCc1cccc2ccc(N3CC(c4nccnc4N4CCC(CO)CC4)C3)nc12
InChIInChI=1S/C23H27N5O/c1-16-3-2-4-18-5-6-20(26-21(16)18)28-13-19(14-28)22-23(25-10-9-24-22)27-11-7-17(15-29)8-12-27/h2-6,9-10,17,19,29H,7-8,11-15H2,1H3
InChIKeyZGMSJGYKQJGECE-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.15
Rot. Bonds4

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

[1-[3-[1-(8-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 58546937) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is [1-[3-[1-(8-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[1-(8-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID58546937
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name[1-[3-[1-(8-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCc1cccc2ccc(N3CC(c4nccnc4N4CCC(CO)CC4)C3)nc12
InChIInChI=1S/C23H27N5O/c1-16-3-2-4-18-5-6-20(26-21(16)18)28-13-19(14-28)22-23(25-10-9-24-22)27-11-7-17(15-29)8-12-27/h2-6,9-10,17,19,29H,7-8,11-15H2,1H3
InChIKeyZGMSJGYKQJGECE-UHFFFAOYSA-N
XLogP3.15
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[1-(8-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[1-(8-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol (CID 58546937) is [1-[3-[1-(8-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[1-(8-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[1-(8-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol is Cc1cccc2ccc(N3CC(c4nccnc4N4CCC(CO)CC4)C3)nc12.
What is the InChIKey of [1-[3-[1-(8-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is ZGMSJGYKQJGECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16-3-2-4-18-5-6-20(26-21(16)18)28-13-19(14-28)22-23(25-10-9-24-22)27-11-7-17(15-29)8-12-27/h2-6,9-10,17,19,29H,7-8,11-15H2,1H3.
What are the key properties of [1-[3-[1-(8-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[1-(8-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 389.50 g/mol, XLogP of 3.15, 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-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58546937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).