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

C16H8Cl2F2N2O2 — CID 7628697

IUPAC6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H8Cl2F2N2O2/c17-9-4-10-15(11(18)5-9)21-7-22(16(10)24)6-14(23)8-1-2-12(19)13(20)3-8/h1-5,7H,6H2
InChIKeyPZZMEWGMNSCKAO-UHFFFAOYSA-N
MW369.15 g/mol
LogP3.86
Rot. Bonds3

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

6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one (PubChem CID 7628697) has the molecular formula C16H8Cl2F2N2O2 and a molecular weight of 369.15 g/mol. Its IUPAC name is 6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one
PubChem CID7628697
Molecular FormulaC16H8Cl2F2N2O2
Molecular Weight369.15 g/mol
Exact Mass367.99
IUPAC Name6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H8Cl2F2N2O2/c17-9-4-10-15(11(18)5-9)21-7-22(16(10)24)6-14(23)8-1-2-12(19)13(20)3-8/h1-5,7H,6H2
InChIKeyPZZMEWGMNSCKAO-UHFFFAOYSA-N
XLogP3.86
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.15
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 4132185
6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7875266
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
N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide
CID 52641955
6,8-dichloro-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]quinazolin-4-one
CID 46610452
N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17404805
3-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 17425485
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-(4-chloro-2-methylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7628708
N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7875306

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one (CID 7628697) is 6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one is O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(F)c(F)c1.
What is the InChIKey of 6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is PZZMEWGMNSCKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F2N2O2/c17-9-4-10-15(11(18)5-9)21-7-22(16(10)24)6-14(23)8-1-2-12(19)13(20)3-8/h1-5,7H,6H2.
What are the key properties of 6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one?
6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 369.15 g/mol, XLogP of 3.86, 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-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 7628697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).