3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one

C21H25N3O2 — CID 2813224

IUPAC3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2)N1CCCN1CCOCC1
InChIInChI=1S/C21H25N3O2/c25-21-18-9-4-5-10-19(18)22-20(17-7-2-1-3-8-17)24(21)12-6-11-23-13-15-26-16-14-23/h1-5,7-10,20,22H,6,11-16H2
InChIKeyUNZPCPMABZGFOA-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.98
Rot. Bonds5

About 3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one

3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 2813224) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID2813224
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2)N1CCCN1CCOCC1
InChIInChI=1S/C21H25N3O2/c25-21-18-9-4-5-10-19(18)22-20(17-7-2-1-3-8-17)24(21)12-6-11-23-13-15-26-16-14-23/h1-5,7-10,20,22H,6,11-16H2
InChIKeyUNZPCPMABZGFOA-UHFFFAOYSA-N
XLogP2.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one (CID 2813224) is 3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccccc2)N1CCCN1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is UNZPCPMABZGFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21-18-9-4-5-10-19(18)22-20(17-7-2-1-3-8-17)24(21)12-6-11-23-13-15-26-16-14-23/h1-5,7-10,20,22H,6,11-16H2.
What are the key properties of 3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 351.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2813224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).