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

C20H21N3O5 — CID 4909918

IUPACN-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1OC
InChIInChI=1S/C20H21N3O5/c1-27-16-10-9-13(12-17(16)28-2)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)
InChIKeyLFEUCVOMRLBBNM-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.13
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (PubChem CID 4909918) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
PubChem CID4909918
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1OC
InChIInChI=1S/C20H21N3O5/c1-27-16-10-9-13(12-17(16)28-2)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)
InChIKeyLFEUCVOMRLBBNM-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-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905483
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4908651
N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4902769
4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 4091041
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905587
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)butanamide
CID 42506632
N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4904247
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 39043523
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 119103707
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide
CID 125432106
N-[(1S)-1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 125431694

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (CID 4909918) is N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is COc1ccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The InChIKey is LFEUCVOMRLBBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-27-16-10-9-13(12-17(16)28-2)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-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
N-(3,4-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-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is sourced from PubChem (CID 4909918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).