2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide

C27H27N3O6 — CID 22429988

IUPAC2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)n(CCc3ccc(OC)c(OC)c3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C27H27N3O6/c1-34-20-11-9-19(10-12-20)28-25(31)17-30-22-7-5-4-6-21(22)26(32)29(27(30)33)15-14-18-8-13-23(35-2)24(16-18)36-3/h4-13,16H,14-15,17H2,1-3H3,(H,28,31)
InChIKeyAJLPIBLKSKHYIF-UHFFFAOYSA-N
MW489.53 g/mol
LogP3.07
Rot. Bonds9

About 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 22429988) has the molecular formula C27H27N3O6 and a molecular weight of 489.53 g/mol. Its IUPAC name is 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID22429988
Molecular FormulaC27H27N3O6
Molecular Weight489.53 g/mol
Exact Mass489.19
IUPAC Name2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)n(CCc3ccc(OC)c(OC)c3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C27H27N3O6/c1-34-20-11-9-19(10-12-20)28-25(31)17-30-22-7-5-4-6-21(22)26(32)29(27(30)33)15-14-18-8-13-23(35-2)24(16-18)36-3/h4-13,16H,14-15,17H2,1-3H3,(H,28,31)
InChIKeyAJLPIBLKSKHYIF-UHFFFAOYSA-N
XLogP3.07
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15995768
N-(3-chloro-4-fluorophenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429987
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423598
N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502403
2-[3-[2-(4-chlorophenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 22423536
N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4084799
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 22423596
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
CID 46925514
N-(2,5-dimethoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3236363
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-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
2-[3-(4-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17027583

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 22429988) is 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2c(=O)n(CCc3ccc(OC)c(OC)c3)c(=O)c3ccccc32)cc1.
What is the InChIKey of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is AJLPIBLKSKHYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O6/c1-34-20-11-9-19(10-12-20)28-25(31)17-30-22-7-5-4-6-21(22)26(32)29(27(30)33)15-14-18-8-13-23(35-2)24(16-18)36-3/h4-13,16H,14-15,17H2,1-3H3,(H,28,31).
What are the key properties of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 489.53 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 22429988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).