3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide

C22H24N4O3 — CID 2569738

IUPAC3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCn1c(CCC(=O)Nc2ccc(N3CCOCC3)cc2)nc(=O)c2ccccc21
InChIInChI=1S/C22H24N4O3/c1-25-19-5-3-2-4-18(19)22(28)24-20(25)10-11-21(27)23-16-6-8-17(9-7-16)26-12-14-29-15-13-26/h2-9H,10-15H2,1H3,(H,23,27)
InChIKeyHAMYOESXTXBYLZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.34
Rot. Bonds5

About 3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide

3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 2569738) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID2569738
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCn1c(CCC(=O)Nc2ccc(N3CCOCC3)cc2)nc(=O)c2ccccc21
InChIInChI=1S/C22H24N4O3/c1-25-19-5-3-2-4-18(19)22(28)24-20(25)10-11-21(27)23-16-6-8-17(9-7-16)26-12-14-29-15-13-26/h2-9H,10-15H2,1H3,(H,23,27)
InChIKeyHAMYOESXTXBYLZ-UHFFFAOYSA-N
XLogP2.34
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Afloqualone
CID 2040
Azd-6703
CID 11373432
(-)-6,7,7a,8-Tetrahydroquinazolino(3',2':1,6)pyrido(2,3-b)(1,4)benzodiazepine-9,16-dione
CID 130919
ME0328
CID 135566764
2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}quinazolin-4(3H)-one
CID 135446758
4-Morpholineacetamide, N-(2-((phenylamino)carbonyl)phenyl)-
CID 217304
4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488
2-{3-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]propyl}-4(3H)-quinazolinone
CID 135440318
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 136229577
N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide
CID 11224214
N-ethyl-4-methyl-3-[6-(4-methyl-piperazin-1-yl)-4-oxo-4H-quinazolin-3-yl]benzamide
CID 15951509
6-Aminomethaqualone
CID 63358

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide (CID 2569738) is 3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide is Cn1c(CCC(=O)Nc2ccc(N3CCOCC3)cc2)nc(=O)c2ccccc21.
What is the InChIKey of 3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is HAMYOESXTXBYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25-19-5-3-2-4-18(19)22(28)24-20(25)10-11-21(27)23-16-6-8-17(9-7-16)26-12-14-29-15-13-26/h2-9H,10-15H2,1H3,(H,23,27).
What are the key properties of 3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-4-oxoquinazolin-2-yl)-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 2569738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).