6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one

C15H15Cl2N3O3 — CID 46674983

IUPAC6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
SMILESCC1CN(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)CCO1
InChIInChI=1S/C15H15Cl2N3O3/c1-9-6-19(2-3-23-9)13(21)7-20-8-18-14-11(15(20)22)4-10(16)5-12(14)17/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyGHEUDEUBOWLVNG-UHFFFAOYSA-N
MW356.21 g/mol
LogP1.95
Rot. Bonds2

About 6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one

6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one (PubChem CID 46674983) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is 6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
PubChem CID46674983
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC Name6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
SMILESCC1CN(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)CCO1
InChIInChI=1S/C15H15Cl2N3O3/c1-9-6-19(2-3-23-9)13(21)7-20-8-18-14-11(15(20)22)4-10(16)5-12(14)17/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyGHEUDEUBOWLVNG-UHFFFAOYSA-N
XLogP1.95
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one
CID 138049385
6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 18195115
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110
6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 32763317
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 4809052
6-chloro-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7587468
5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 126787944
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7628728
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one
CID 98338414
N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 38858482
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7875332

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one (CID 46674983) is 6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one is CC1CN(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)CCO1.
What is the InChIKey of 6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is GHEUDEUBOWLVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3/c1-9-6-19(2-3-23-9)13(21)7-20-8-18-14-11(15(20)22)4-10(16)5-12(14)17/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one?
6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 356.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 46674983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).