2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C21H23N3O6 — CID 6502231

IUPAC2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O
InChIInChI=1S/C21H23N3O6/c1-5-23-20(26)14-8-6-7-9-15(14)24(21(23)27)12-18(25)22-13-10-16(28-2)19(30-4)17(11-13)29-3/h6-11H,5,12H2,1-4H3,(H,22,25)
InChIKeyIDISRVFUZQRPEW-UHFFFAOYSA-N
MW413.43 g/mol
LogP1.85
Rot. Bonds7

About 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 6502231) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID6502231
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O
InChIInChI=1S/C21H23N3O6/c1-5-23-20(26)14-8-6-7-9-15(14)24(21(23)27)12-18(25)22-13-10-16(28-2)19(30-4)17(11-13)29-3/h6-11H,5,12H2,1-4H3,(H,22,25)
InChIKeyIDISRVFUZQRPEW-UHFFFAOYSA-N
XLogP1.85
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 38085602
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
N-(2,5-dimethoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3236363
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
N-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 6617080
methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate
CID 46584638
N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4084799
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide
CID 29331067
1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 2330748
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51246851
2-[3-(2-hydroxyethyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53371249

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 6502231) is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O.
What is the InChIKey of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is IDISRVFUZQRPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-5-23-20(26)14-8-6-7-9-15(14)24(21(23)27)12-18(25)22-13-10-16(28-2)19(30-4)17(11-13)29-3/h6-11H,5,12H2,1-4H3,(H,22,25).
What are the key properties of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 413.43 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 6502231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).