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

C16H9Cl2FN2O2 — CID 4132185

IUPAC6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(F)cc1
InChIInChI=1S/C16H9Cl2FN2O2/c17-10-5-12-15(13(18)6-10)20-8-21(16(12)23)7-14(22)9-1-3-11(19)4-2-9/h1-6,8H,7H2
InChIKeyRZHMVHGYWHJWEB-UHFFFAOYSA-N
MW351.16 g/mol
LogP3.73
Rot. Bonds3

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

6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one (PubChem CID 4132185) has the molecular formula C16H9Cl2FN2O2 and a molecular weight of 351.16 g/mol. Its IUPAC name is 6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one
PubChem CID4132185
Molecular FormulaC16H9Cl2FN2O2
Molecular Weight351.16 g/mol
Exact Mass350.00
IUPAC Name6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(F)cc1
InChIInChI=1S/C16H9Cl2FN2O2/c17-10-5-12-15(13(18)6-10)20-8-21(16(12)23)7-14(22)9-1-3-11(19)4-2-9/h1-6,8H,7H2
InChIKeyRZHMVHGYWHJWEB-UHFFFAOYSA-N
XLogP3.73
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 7628697
6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7875266
4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]benzonitrile
CID 44723468
6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one
CID 7875352
6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one
CID 46610452
N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide
CID 52641955
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110
N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17404805
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
N-[3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 46817909

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one (CID 4132185) is 6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one is O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(F)cc1.
What is the InChIKey of 6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is RZHMVHGYWHJWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FN2O2/c17-10-5-12-15(13(18)6-10)20-8-21(16(12)23)7-14(22)9-1-3-11(19)4-2-9/h1-6,8H,7H2.
What are the key properties of 6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one?
6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 351.16 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 4132185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).