N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

C22H25N3O6 — CID 55654276

IUPACN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NCC(O)c2cc(OC)ccc2OC)c1=O
InChIInChI=1S/C22H25N3O6/c1-4-24-21(28)15-7-5-6-8-17(15)25(22(24)29)13-20(27)23-12-18(26)16-11-14(30-2)9-10-19(16)31-3/h5-11,18,26H,4,12-13H2,1-3H3,(H,23,27)
InChIKeyPRQGUTYFOWPTNW-UHFFFAOYSA-N
MW427.46 g/mol
LogP1.05
Rot. Bonds8

About N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 55654276) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID55654276
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NCC(O)c2cc(OC)ccc2OC)c1=O
InChIInChI=1S/C22H25N3O6/c1-4-24-21(28)15-7-5-6-8-17(15)25(22(24)29)13-20(27)23-12-18(26)16-11-14(30-2)9-10-19(16)31-3/h5-11,18,26H,4,12-13H2,1-3H3,(H,23,27)
InChIKeyPRQGUTYFOWPTNW-UHFFFAOYSA-N
XLogP1.05
TPSA111.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide 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

N-(2,5-dimethoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3236363
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51246851
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 38085602
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 55945706
N-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 6617080
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
CID 9400092
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 9490192
N-(2,4-dimethoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502390
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 46925484

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 55654276) is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)NCC(O)c2cc(OC)ccc2OC)c1=O.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is PRQGUTYFOWPTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-4-24-21(28)15-7-5-6-8-17(15)25(22(24)29)13-20(27)23-12-18(26)16-11-14(30-2)9-10-19(16)31-3/h5-11,18,26H,4,12-13H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 427.46 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 55654276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).