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

C18H14Cl2N2O2 — CID 7875266

IUPAC6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one
SMILESCCc1ccc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1
InChIInChI=1S/C18H14Cl2N2O2/c1-2-11-3-5-12(6-4-11)16(23)9-22-10-21-17-14(18(22)24)7-13(19)8-15(17)20/h3-8,10H,2,9H2,1H3
InChIKeyBTIPYSOULYTGJZ-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.15
Rot. Bonds4

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

6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one (PubChem CID 7875266) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one
PubChem CID7875266
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one
SMILESCCc1ccc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1
InChIInChI=1S/C18H14Cl2N2O2/c1-2-11-3-5-12(6-4-11)16(23)9-22-10-21-17-14(18(22)24)7-13(19)8-15(17)20/h3-8,10H,2,9H2,1H3
InChIKeyBTIPYSOULYTGJZ-UHFFFAOYSA-N
XLogP4.15
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.15
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
4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]benzonitrile
CID 44723468
6,8-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 7628697
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
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 27912189
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809057
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
6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one
CID 7628762
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-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one (CID 7875266) is 6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one is CCc1ccc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1.
What is the InChIKey of 6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is BTIPYSOULYTGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-2-11-3-5-12(6-4-11)16(23)9-22-10-21-17-14(18(22)24)7-13(19)8-15(17)20/h3-8,10H,2,9H2,1H3.
What are the key properties of 6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one?
6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 361.23 g/mol, XLogP of 4.15, 4 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-ethylphenyl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 7875266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).