8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one

C15H17N3O3 — CID 170753477

IUPAC8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one
SMILESCC(=O)c1cccc2c(=O)n(C)c(N3CCOCC3)nc12
InChIInChI=1S/C15H17N3O3/c1-10(19)11-4-3-5-12-13(11)16-15(17(2)14(12)20)18-6-8-21-9-7-18/h3-5H,6-9H2,1-2H3
InChIKeyMBIJPXVIHYHWDI-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.97
Rot. Bonds2

About 8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one

8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one (PubChem CID 170753477) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one
PubChem CID170753477
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one
SMILESCC(=O)c1cccc2c(=O)n(C)c(N3CCOCC3)nc12
InChIInChI=1S/C15H17N3O3/c1-10(19)11-4-3-5-12-13(11)16-15(17(2)14(12)20)18-6-8-21-9-7-18/h3-5H,6-9H2,1-2H3
InChIKeyMBIJPXVIHYHWDI-UHFFFAOYSA-N
XLogP0.97
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one
CID 170753431
8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one
CID 170754045
2-[[(1S)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753200
2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid
CID 170753493
3-methyl-8-[(1S)-1-(2-methylsulfonylanilino)ethyl]-2-morpholin-4-ylquinazolin-4-one
CID 170753584
8-[1-[2-(2-hydroxyacetyl)anilino]ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753581
2-[[(1R)-1-(6-methoxy-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753384
tert-butyl-[1-[3-methyl-2-morpholin-4-yl-4-oxo-6-(trifluoromethyl)quinazolin-8-yl]ethylideneamino]-oxidosulfanium
CID 175998959
8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde
CID 170753519
8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one
CID 170753453
5-chloro-2-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753327
8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170754048

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one?
The IUPAC name of 8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one (CID 170753477) is 8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one?
The canonical SMILES for 8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one is CC(=O)c1cccc2c(=O)n(C)c(N3CCOCC3)nc12.
What is the InChIKey of 8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one?
The InChIKey is MBIJPXVIHYHWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(19)11-4-3-5-12-13(11)16-15(17(2)14(12)20)18-6-8-21-9-7-18/h3-5H,6-9H2,1-2H3.
What are the key properties of 8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one?
8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one has a molecular weight of 287.32 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one is sourced from PubChem (CID 170753477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).