N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide

C20H21N3O5 — CID 4907918

IUPACN-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(OC)cc1OC)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H21N3O5/c1-4-16(18(24)21-15-10-9-12(27-2)11-17(15)28-3)23-19(25)13-7-5-6-8-14(13)22-20(23)26/h5-11,16H,4H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyYRCJAOYFTUZFFS-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.30
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide

N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (PubChem CID 4907918) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
PubChem CID4907918
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(OC)cc1OC)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H21N3O5/c1-4-16(18(24)21-15-10-9-12(27-2)11-17(15)28-3)23-19(25)13-7-5-6-8-14(13)22-20(23)26/h5-11,16H,4H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyYRCJAOYFTUZFFS-UHFFFAOYSA-N
XLogP2.30
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide 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-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4907704
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
CID 4909904
methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)pentanoate
CID 68726339
N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4904222
(2R)-N-(2,4-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623427
(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 7605329
N-(2,4-dimethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195265
2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4-dimethoxyphenyl)butanamide
CID 46305555
N-(2,5-dimethoxyphenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301526
N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4902769
3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 56771696
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (CID 4907918) is N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is CCC(C(=O)Nc1ccc(OC)cc1OC)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The InChIKey is YRCJAOYFTUZFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-4-16(18(24)21-15-10-9-12(27-2)11-17(15)28-3)23-19(25)13-7-5-6-8-14(13)22-20(23)26/h5-11,16H,4H2,1-3H3,(H,21,24)(H,22,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide has a molecular weight of 383.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is sourced from PubChem (CID 4907918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).