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

C20H21N3O4 — CID 3242648

IUPAC2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCn1c(=O)n(CC(=O)NCc2ccccc2OC)c(=O)c2ccccc21
InChIInChI=1S/C20H21N3O4/c1-3-22-16-10-6-5-9-15(16)19(25)23(20(22)26)13-18(24)21-12-14-8-4-7-11-17(14)27-2/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyCYCIGQMEZSTYMA-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.51
Rot. Bonds6

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

2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 3242648) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID3242648
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCn1c(=O)n(CC(=O)NCc2ccccc2OC)c(=O)c2ccccc21
InChIInChI=1S/C20H21N3O4/c1-3-22-16-10-6-5-9-15(16)19(25)23(20(22)26)13-18(24)21-12-14-8-4-7-11-17(14)27-2/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyCYCIGQMEZSTYMA-UHFFFAOYSA-N
XLogP1.51
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 3242648) is 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide is CCn1c(=O)n(CC(=O)NCc2ccccc2OC)c(=O)c2ccccc21.
What is the InChIKey of 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is CYCIGQMEZSTYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-22-16-10-6-5-9-15(16)19(25)23(20(22)26)13-18(24)21-12-14-8-4-7-11-17(14)27-2/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3242648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).