3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide

C20H22N4O3 — CID 119439698

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
SMILESCCNCc1ccccc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C20H22N4O3/c1-2-21-13-14-7-3-5-9-16(14)22-18(25)11-12-24-17-10-6-4-8-15(17)19(26)23-20(24)27/h3-10,21H,2,11-13H2,1H3,(H,22,25)(H,23,26,27)
InChIKeyBYDGBJLTFXITML-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.83
Rot. Bonds7

About 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide (PubChem CID 119439698) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
PubChem CID119439698
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
SMILESCCNCc1ccccc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C20H22N4O3/c1-2-21-13-14-7-3-5-9-16(14)22-18(25)11-12-24-17-10-6-4-8-15(17)19(26)23-20(24)27/h3-10,21H,2,11-13H2,1H3,(H,22,25)(H,23,26,27)
InChIKeyBYDGBJLTFXITML-UHFFFAOYSA-N
XLogP1.83
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 17464541
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 166189122
4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide
CID 25485041
3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
CID 55980582
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763926
3-(2,4-dioxoquinazolin-1-yl)-N-heptan-2-ylpropanamide
CID 51339285
N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 30296173

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide (CID 119439698) is 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide is CCNCc1ccccc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide?
The InChIKey is BYDGBJLTFXITML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-2-21-13-14-7-3-5-9-16(14)22-18(25)11-12-24-17-10-6-4-8-15(17)19(26)23-20(24)27/h3-10,21H,2,11-13H2,1H3,(H,22,25)(H,23,26,27).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide has a molecular weight of 366.42 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide is sourced from PubChem (CID 119439698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).