7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one

C21H23N3O2 — CID 154096820

IUPAC7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one
SMILESCC(C)n1c(=O)nc(-c2ccccc2)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C21H23N3O2/c1-15(2)24-19-14-17(23-10-12-26-13-11-23)8-9-18(19)20(22-21(24)25)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3
InChIKeyIRYSZSFTIKQARZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.48
Rot. Bonds3

About 7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one

7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one (PubChem CID 154096820) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one.

Molecular Properties

Compound Name7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one
PubChem CID154096820
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one
SMILESCC(C)n1c(=O)nc(-c2ccccc2)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C21H23N3O2/c1-15(2)24-19-14-17(23-10-12-26-13-11-23)8-9-18(19)20(22-21(24)25)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3
InChIKeyIRYSZSFTIKQARZ-UHFFFAOYSA-N
XLogP3.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine
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CID 155812528
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CID 2901797
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4-morpholin-4-yl-7-phenylchromen-2-one
CID 46891260
6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
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CID 155667695

Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one?
The IUPAC name of 7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one (CID 154096820) is 7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one.
What is the SMILES notation for 7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one?
The canonical SMILES for 7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one is CC(C)n1c(=O)nc(-c2ccccc2)c2ccc(N3CCOCC3)cc21.
What is the InChIKey of 7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one?
The InChIKey is IRYSZSFTIKQARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(2)24-19-14-17(23-10-12-26-13-11-23)8-9-18(19)20(22-21(24)25)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of 7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one?
7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one has a molecular weight of 349.43 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one is sourced from PubChem (CID 154096820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).