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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Related Compounds

8-acetyl-3-methyl-2-morpholin-4-ylquinazolin-4-one
CID 170753477
8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one
CID 170754045
N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide
CID 54682024
tert-butyl-[1-(5-fluoro-3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylideneamino]-oxidosulfanium
CID 175998933
5-chloro-2-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753327
2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid
CID 170753493
2-[[(1R)-1-(5-fluoro-3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753181
1-(6-cyclopropyl-2-morpholin-4-yl-3-pyridinyl)ethanone
CID 126497930
8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one
CID 170753453
2-[1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]-4-fluorobenzoic acid
CID 170753603
8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde
CID 170753519
2-[[(1S)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753200

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).