1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one

C17H21N3O2 — CID 142227752

IUPAC1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one
SMILESC=C(C)c1nc(=O)n(CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C17H21N3O2/c1-13(2)16-14-5-3-4-6-15(14)20(17(21)18-16)8-7-19-9-11-22-12-10-19/h3-6H,1,7-12H2,2H3
InChIKeyIZKRHMKDRZNMNO-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.76
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one

1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one (PubChem CID 142227752) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one
PubChem CID142227752
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one
SMILESC=C(C)c1nc(=O)n(CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C17H21N3O2/c1-13(2)16-14-5-3-4-6-15(14)20(17(21)18-16)8-7-19-9-11-22-12-10-19/h3-6H,1,7-12H2,2H3
InChIKeyIZKRHMKDRZNMNO-UHFFFAOYSA-N
XLogP1.76
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one (CID 142227752) is 1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one is C=C(C)c1nc(=O)n(CCN2CCOCC2)c2ccccc12.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one?
The InChIKey is IZKRHMKDRZNMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(2)16-14-5-3-4-6-15(14)20(17(21)18-16)8-7-19-9-11-22-12-10-19/h3-6H,1,7-12H2,2H3.
What are the key properties of 1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one?
1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one has a molecular weight of 299.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one is sourced from PubChem (CID 142227752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).