N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide

C26H27N3O5S — CID 46925514

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)cc1OC
InChIInChI=1S/C26H27N3O5S/c1-33-22-10-9-18(16-23(22)34-2)11-13-27-24(30)17-29-21-8-4-3-7-20(21)25(31)28(26(29)32)14-12-19-6-5-15-35-19/h3-10,15-16H,11-14,17H2,1-2H3,(H,27,30)
InChIKeyNYJYXHQJDKWQBW-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.84
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide (PubChem CID 46925514) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
PubChem CID46925514
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)cc1OC
InChIInChI=1S/C26H27N3O5S/c1-33-22-10-9-18(16-23(22)34-2)11-13-27-24(30)17-29-21-8-4-3-7-20(21)25(31)28(26(29)32)14-12-19-6-5-15-35-19/h3-10,15-16H,11-14,17H2,1-2H3,(H,27,30)
InChIKeyNYJYXHQJDKWQBW-UHFFFAOYSA-N
XLogP2.84
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-[2-(4-chlorophenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 22423536
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 16801024
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
CID 46247482
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22429988
2-(3-benzyl-6-chloro-2,4-dioxoquinazolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 22429536
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6486494
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 46925484
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 98194202
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 98194200
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 22429620
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 16675065

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide (CID 46925514) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide is COc1ccc(CCNC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide?
The InChIKey is NYJYXHQJDKWQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-33-22-10-9-18(16-23(22)34-2)11-13-27-24(30)17-29-21-8-4-3-7-20(21)25(31)28(26(29)32)14-12-19-6-5-15-35-19/h3-10,15-16H,11-14,17H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide has a molecular weight of 493.59 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide is sourced from PubChem (CID 46925514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).