6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one

C20H15Cl2N3O3 — CID 46610452

IUPAC6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H15Cl2N3O3/c21-13-8-15-19(16(22)9-13)23-11-24(20(15)28)10-17(26)12-3-5-14(6-4-12)25-7-1-2-18(25)27/h3-6,8-9,11H,1-2,7,10H2
InChIKeyBGQFSGOCXFAPKO-UHFFFAOYSA-N
MW416.26 g/mol
LogP3.71
Rot. Bonds4

About 6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one

6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one (PubChem CID 46610452) has the molecular formula C20H15Cl2N3O3 and a molecular weight of 416.26 g/mol. Its IUPAC name is 6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one
PubChem CID46610452
Molecular FormulaC20H15Cl2N3O3
Molecular Weight416.26 g/mol
Exact Mass415.05
IUPAC Name6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H15Cl2N3O3/c21-13-8-15-19(16(22)9-13)23-11-24(20(15)28)10-17(26)12-3-5-14(6-4-12)25-7-1-2-18(25)27/h3-6,8-9,11H,1-2,7,10H2
InChIKeyBGQFSGOCXFAPKO-UHFFFAOYSA-N
XLogP3.71
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one
CID 7875352
4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]benzonitrile
CID 44723468
5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 8747571
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8891969
1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8750865
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110
N-[3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 46817909
N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7875306
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7875332
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7628728
6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
CID 46674983
N-(4-chloro-2-methylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7628708

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one (CID 46610452) is 6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one is O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one?
The InChIKey is BGQFSGOCXFAPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O3/c21-13-8-15-19(16(22)9-13)23-11-24(20(15)28)10-17(26)12-3-5-14(6-4-12)25-7-1-2-18(25)27/h3-6,8-9,11H,1-2,7,10H2.
What are the key properties of 6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one?
6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one has a molecular weight of 416.26 g/mol, XLogP of 3.71, 4 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-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one is sourced from PubChem (CID 46610452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).