2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide

C20H21N3O4 — CID 42810869

IUPAC2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC(C)C)c2=O)cc1
InChIInChI=1S/C20H21N3O4/c1-13(2)21-18(24)12-22-17-7-5-4-6-16(17)19(25)23(20(22)26)14-8-10-15(27-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyHPKDMWZUNKUKOE-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.69
Rot. Bonds5

About 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide

2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide (PubChem CID 42810869) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
PubChem CID42810869
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC(C)C)c2=O)cc1
InChIInChI=1S/C20H21N3O4/c1-13(2)21-18(24)12-22-17-7-5-4-6-16(17)19(25)23(20(22)26)14-8-10-15(27-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyHPKDMWZUNKUKOE-UHFFFAOYSA-N
XLogP1.69
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide 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

2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide
CID 50763110
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763230
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 22429464
2-[3-(4-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17027583
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide
CID 50762715
1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione
CID 165075305
2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide
CID 50762495
N-[(4-methoxyphenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502426
2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 42811337
N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762553
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429419
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 24718369

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide (CID 42810869) is 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide is COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC(C)C)c2=O)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is HPKDMWZUNKUKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13(2)21-18(24)12-22-17-7-5-4-6-16(17)19(25)23(20(22)26)14-8-10-15(27-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide?
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 367.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 42810869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).