3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione

C24H19ClN2O5 — CID 17147929

IUPAC3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCOc1ccc(C(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3ccccc32)cc1OC
InChIInChI=1S/C24H19ClN2O5/c1-31-21-11-10-15(12-22(21)32-2)20(28)14-26-19-9-4-3-8-18(19)23(29)27(24(26)30)17-7-5-6-16(25)13-17/h3-13H,14H2,1-2H3
InChIKeyDSUMRYDEDLEFAT-UHFFFAOYSA-N
MW450.88 g/mol
LogP3.71
Rot. Bonds6

About 3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione

3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 17147929) has the molecular formula C24H19ClN2O5 and a molecular weight of 450.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID17147929
Molecular FormulaC24H19ClN2O5
Molecular Weight450.88 g/mol
Exact Mass450.10
IUPAC Name3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCOc1ccc(C(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3ccccc32)cc1OC
InChIInChI=1S/C24H19ClN2O5/c1-31-21-11-10-15(12-22(21)32-2)20(28)14-26-19-9-4-3-8-18(19)23(29)27(24(26)30)17-7-5-6-16(25)13-17/h3-13H,14H2,1-2H3
InChIKeyDSUMRYDEDLEFAT-UHFFFAOYSA-N
XLogP3.71
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-chlorophenyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 17197944
2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 42811228
2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93301719
1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
CID 15989209
3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17147921
2-[3-(3-chlorophenyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17197939
N-(3-chloro-4-methoxyphenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857110
3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione
CID 17147919
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 46925484
1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione
CID 17172499
3-benzyl-1-[2-(3-chloro-4-ethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 155322949
N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857114

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione (CID 17147929) is 3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione is COc1ccc(C(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3ccccc32)cc1OC.
What is the InChIKey of 3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is DSUMRYDEDLEFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O5/c1-31-21-11-10-15(12-22(21)32-2)20(28)14-26-19-9-4-3-8-18(19)23(29)27(24(26)30)17-7-5-6-16(25)13-17/h3-13H,14H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione?
3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 450.88 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 17147929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).