3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one

C16H10Cl2N2O2 — CID 17436537

IUPAC3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2N2O2/c17-10-5-6-13(18)12(7-10)15(21)8-20-9-19-14-4-2-1-3-11(14)16(20)22/h1-7,9H,8H2
InChIKeyYEWHLAYNFAVCJW-UHFFFAOYSA-N
MW333.17 g/mol
LogP3.59
Rot. Bonds3

About 3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one

3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one (PubChem CID 17436537) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
PubChem CID17436537
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2N2O2/c17-10-5-6-13(18)12(7-10)15(21)8-20-9-19-14-4-2-1-3-11(14)16(20)22/h1-7,9H,8H2
InChIKeyYEWHLAYNFAVCJW-UHFFFAOYSA-N
XLogP3.59
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 3290687
N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 9440401
(4-chloro-2-methylphenyl) 2-(4-oxoquinazolin-3-yl)acetate
CID 4784076
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
CID 973494
3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one
CID 4809023
3-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinazolin-4-one
CID 8642933
N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 46666719
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51363052
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-chlorophenyl)acetamide
CID 4193609
3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one
CID 41316271

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one (CID 17436537) is 3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one is O=C(Cn1cnc2ccccc2c1=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is YEWHLAYNFAVCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-10-5-6-13(18)12(7-10)15(21)8-20-9-19-14-4-2-1-3-11(14)16(20)22/h1-7,9H,8H2.
What are the key properties of 3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one?
3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 333.17 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 17436537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).