N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide

C20H21N3O5 — CID 4902769

IUPACN-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESCOc1ccc(OC)c(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C20H21N3O5/c1-27-13-9-10-17(28-2)16(12-13)21-18(24)8-5-11-23-19(25)14-6-3-4-7-15(14)22-20(23)26/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyQZAZFOBYQNXTNX-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.13
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide

N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (PubChem CID 4902769) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
PubChem CID4902769
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESCOc1ccc(OC)c(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C20H21N3O5/c1-27-13-9-10-17(28-2)16(12-13)21-18(24)8-5-11-23-19(25)14-6-3-4-7-15(14)22-20(23)26/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyQZAZFOBYQNXTNX-UHFFFAOYSA-N
XLogP2.13
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4909918
N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905587
N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905483
4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 4091041
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4908651
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 39043523
N-(5-cyano-2-methoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 49181940
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide
CID 125432106
3-[4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]-1H-quinazoline-2,4-dione
CID 128962778
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
N-(2,5-dimethoxyphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833532
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (CID 4902769) is N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is COc1ccc(OC)c(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The InChIKey is QZAZFOBYQNXTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-27-13-9-10-17(28-2)16(12-13)21-18(24)8-5-11-23-19(25)14-6-3-4-7-15(14)22-20(23)26/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide has a molecular weight of 383.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is sourced from PubChem (CID 4902769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).