N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

C20H20N4O3 — CID 87042396

IUPACN-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C20H20N4O3/c25-19(13-24-14-21-18-7-2-1-6-17(18)20(24)26)22-15-4-3-5-16(12-15)23-8-10-27-11-9-23/h1-7,12,14H,8-11,13H2,(H,22,25)
InChIKeyRHMKPIDTNMYTEB-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.87
Rot. Bonds4

About N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 87042396) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID87042396
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C20H20N4O3/c25-19(13-24-14-21-18-7-2-1-6-17(18)20(24)26)22-15-4-3-5-16(12-15)23-8-10-27-11-9-23/h1-7,12,14H,8-11,13H2,(H,22,25)
InChIKeyRHMKPIDTNMYTEB-UHFFFAOYSA-N
XLogP1.87
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 87042396) is N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(N2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is RHMKPIDTNMYTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19(13-24-14-21-18-7-2-1-6-17(18)20(24)26)22-15-4-3-5-16(12-15)23-8-10-27-11-9-23/h1-7,12,14H,8-11,13H2,(H,22,25).
What are the key properties of N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 364.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 87042396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).