4-(4-piperidin-1-ylquinazolin-2-yl)morpholine

C17H22N4O — CID 893935

IUPAC4-(4-piperidin-1-ylquinazolin-2-yl)morpholine
SMILESc1ccc2c(N3CCCCC3)nc(N3CCOCC3)nc2c1
InChIInChI=1S/C17H22N4O/c1-4-8-20(9-5-1)16-14-6-2-3-7-15(14)18-17(19-16)21-10-12-22-13-11-21/h2-3,6-7H,1,4-5,8-13H2
InChIKeyDTXHHUHYEOQROH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.46
Rot. Bonds2

About 4-(4-piperidin-1-ylquinazolin-2-yl)morpholine

4-(4-piperidin-1-ylquinazolin-2-yl)morpholine (PubChem CID 893935) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylquinazolin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-piperidin-1-ylquinazolin-2-yl)morpholine
PubChem CID893935
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-(4-piperidin-1-ylquinazolin-2-yl)morpholine
SMILESc1ccc2c(N3CCCCC3)nc(N3CCOCC3)nc2c1
InChIInChI=1S/C17H22N4O/c1-4-8-20(9-5-1)16-14-6-2-3-7-15(14)18-17(19-16)21-10-12-22-13-11-21/h2-3,6-7H,1,4-5,8-13H2
InChIKeyDTXHHUHYEOQROH-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylquinazolin-2-yl)morpholine?
The IUPAC name of 4-(4-piperidin-1-ylquinazolin-2-yl)morpholine (CID 893935) is 4-(4-piperidin-1-ylquinazolin-2-yl)morpholine.
What is the SMILES notation for 4-(4-piperidin-1-ylquinazolin-2-yl)morpholine?
The canonical SMILES for 4-(4-piperidin-1-ylquinazolin-2-yl)morpholine is c1ccc2c(N3CCCCC3)nc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-(4-piperidin-1-ylquinazolin-2-yl)morpholine?
The InChIKey is DTXHHUHYEOQROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-8-20(9-5-1)16-14-6-2-3-7-15(14)18-17(19-16)21-10-12-22-13-11-21/h2-3,6-7H,1,4-5,8-13H2.
What are the key properties of 4-(4-piperidin-1-ylquinazolin-2-yl)morpholine?
4-(4-piperidin-1-ylquinazolin-2-yl)morpholine has a molecular weight of 298.39 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylquinazolin-2-yl)morpholine is sourced from PubChem (CID 893935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).