4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine

C22H28N6O — CID 53467765

IUPAC4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCn1ccnc1CC1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1
InChIInChI=1S/C22H28N6O/c1-26-8-6-23-21(26)13-17-3-2-7-28(15-17)22-19-5-4-18(14-20(19)24-16-25-22)27-9-11-29-12-10-27/h4-6,8,14,16-17H,2-3,7,9-13,15H2,1H3
InChIKeyQAUPQNUXEYNMDC-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.66
Rot. Bonds4

About 4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine

4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 53467765) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID53467765
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCn1ccnc1CC1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1
InChIInChI=1S/C22H28N6O/c1-26-8-6-23-21(26)13-17-3-2-7-28(15-17)22-19-5-4-18(14-20(19)24-16-25-22)27-9-11-29-12-10-27/h4-6,8,14,16-17H,2-3,7,9-13,15H2,1H3
InChIKeyQAUPQNUXEYNMDC-UHFFFAOYSA-N
XLogP2.66
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine (CID 53467765) is 4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine is Cn1ccnc1CC1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.
What is the InChIKey of 4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is QAUPQNUXEYNMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-26-8-6-23-21(26)13-17-3-2-7-28(15-17)22-19-5-4-18(14-20(19)24-16-25-22)27-9-11-29-12-10-27/h4-6,8,14,16-17H,2-3,7,9-13,15H2,1H3.
What are the key properties of 4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 392.51 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 53467765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).