4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine

C22H28N6O — CID 129336500

IUPAC4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
SMILESCc1cccc2c(N3CCC[C@@H](c4[nH]ncc4CN4CCOCC4)C3)ncnc12
InChIInChI=1S/C22H28N6O/c1-16-4-2-6-19-20(16)23-15-24-22(19)28-7-3-5-17(14-28)21-18(12-25-26-21)13-27-8-10-29-11-9-27/h2,4,6,12,15,17H,3,5,7-11,13-14H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyQTDDXCYLMCHEEU-QGZVFWFLSA-N
MW392.51 g/mol
LogP2.88
Rot. Bonds4

About 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine

4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine (PubChem CID 129336500) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
PubChem CID129336500
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
SMILESCc1cccc2c(N3CCC[C@@H](c4[nH]ncc4CN4CCOCC4)C3)ncnc12
InChIInChI=1S/C22H28N6O/c1-16-4-2-6-19-20(16)23-15-24-22(19)28-7-3-5-17(14-28)21-18(12-25-26-21)13-27-8-10-29-11-9-27/h2,4,6,12,15,17H,3,5,7-11,13-14H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyQTDDXCYLMCHEEU-QGZVFWFLSA-N
XLogP2.88
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine (CID 129336500) is 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine is Cc1cccc2c(N3CCC[C@@H](c4[nH]ncc4CN4CCOCC4)C3)ncnc12.
What is the InChIKey of 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
The InChIKey is QTDDXCYLMCHEEU-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N6O/c1-16-4-2-6-19-20(16)23-15-24-22(19)28-7-3-5-17(14-28)21-18(12-25-26-21)13-27-8-10-29-11-9-27/h2,4,6,12,15,17H,3,5,7-11,13-14H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine has a molecular weight of 392.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 129336500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).