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

C22H24N4O3 — CID 26972821

IUPACN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-24(14-17-6-8-18(9-7-17)25-10-12-29-13-11-25)21(27)15-26-16-23-20-5-3-2-4-19(20)22(26)28/h2-9,16H,10-15H2,1H3
InChIKeyRJZUTOHXSBUSJD-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.89
Rot. Bonds5

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

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 26972821) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID26972821
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-24(14-17-6-8-18(9-7-17)25-10-12-29-13-11-25)21(27)15-26-16-23-20-5-3-2-4-19(20)22(26)28/h2-9,16H,10-15H2,1H3
InChIKeyRJZUTOHXSBUSJD-UHFFFAOYSA-N
XLogP1.89
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 26972821) is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is RJZUTOHXSBUSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-24(14-17-6-8-18(9-7-17)25-10-12-29-13-11-25)21(27)15-26-16-23-20-5-3-2-4-19(20)22(26)28/h2-9,16H,10-15H2,1H3.
What are the key properties of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 26972821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).