8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one

C15H16ClN3O3 — CID 170753431

IUPAC8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one
SMILESCC(=O)c1ccc(Cl)c2c(=O)n(C)c(N3CCOCC3)nc12
InChIInChI=1S/C15H16ClN3O3/c1-9(20)10-3-4-11(16)12-13(10)17-15(18(2)14(12)21)19-5-7-22-8-6-19/h3-4H,5-8H2,1-2H3
InChIKeyBSJLILNBOLHKPI-UHFFFAOYSA-N
MW321.76 g/mol
LogP1.63
Rot. Bonds2

About 8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one

8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one (PubChem CID 170753431) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one
PubChem CID170753431
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one
SMILESCC(=O)c1ccc(Cl)c2c(=O)n(C)c(N3CCOCC3)nc12
InChIInChI=1S/C15H16ClN3O3/c1-9(20)10-3-4-11(16)12-13(10)17-15(18(2)14(12)21)19-5-7-22-8-6-19/h3-4H,5-8H2,1-2H3
InChIKeyBSJLILNBOLHKPI-UHFFFAOYSA-N
XLogP1.63
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one?
The IUPAC name of 8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one (CID 170753431) is 8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one?
The canonical SMILES for 8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one is CC(=O)c1ccc(Cl)c2c(=O)n(C)c(N3CCOCC3)nc12.
What is the InChIKey of 8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one?
The InChIKey is BSJLILNBOLHKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-9(20)10-3-4-11(16)12-13(10)17-15(18(2)14(12)21)19-5-7-22-8-6-19/h3-4H,5-8H2,1-2H3.
What are the key properties of 8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one?
8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one has a molecular weight of 321.76 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one is sourced from PubChem (CID 170753431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).