6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one

C23H19ClN2O3S — CID 134155256

IUPAC6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
SMILESCOc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19ClN2O3S/c1-28-18-8-3-15(4-9-18)14-30-23-25-21-12-5-16(24)13-20(21)22(27)26(23)17-6-10-19(29-2)11-7-17/h3-13H,14H2,1-2H3
InChIKeyJZLUZLWSUWXFPL-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.35
Rot. Bonds6

About 6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one

6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one (PubChem CID 134155256) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is 6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
PubChem CID134155256
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
SMILESCOc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19ClN2O3S/c1-28-18-8-3-15(4-9-18)14-30-23-25-21-12-5-16(24)13-20(21)22(27)26(23)17-6-10-19(29-2)11-7-17/h3-13H,14H2,1-2H3
InChIKeyJZLUZLWSUWXFPL-UHFFFAOYSA-N
XLogP5.35
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one
CID 659793
N-[4-(acetylamino)phenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
CID 1272945
3-(4-Methoxyphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one
CID 1850249
3-(2-Methoxyphenyl)-2-propylsulfanylquinazolin-4-one
CID 1967844
2-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-3-(3-methylphenyl)quinazolin-4-one
CID 2537078
2-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 2609888
3-(3-Chloro-4-methoxyphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 3450226
N-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide
CID 3639488
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-6-chloro-3-(4-methoxyphenyl)quinazolin-4-one
CID 118711906
N-acetyl-N-[2-[6-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide
CID 122192933
2-[(4-Methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one
CID 134132118
3-(4-Chlorophenyl)-6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 134132546

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one (CID 134155256) is 6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one is COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
The InChIKey is JZLUZLWSUWXFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-28-18-8-3-15(4-9-18)14-30-23-25-21-12-5-16(24)13-20(21)22(27)26(23)17-6-10-19(29-2)11-7-17/h3-13H,14H2,1-2H3.
What are the key properties of 6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one has a molecular weight of 438.94 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 134155256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).