3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide

C21H23N3O4 — CID 24547729

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(OC)cc1
InChIInChI=1S/C21H23N3O4/c1-3-17(14-8-10-15(28-2)11-9-14)22-19(25)12-13-24-18-7-5-4-6-16(18)20(26)23-21(24)27/h4-11,17H,3,12-13H2,1-2H3,(H,22,25)(H,23,26,27)
InChIKeyGINOMJPZAGYOLE-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.36
Rot. Bonds7

About 3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide (PubChem CID 24547729) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
PubChem CID24547729
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(OC)cc1
InChIInChI=1S/C21H23N3O4/c1-3-17(14-8-10-15(28-2)11-9-14)22-19(25)12-13-24-18-7-5-4-6-16(18)20(26)23-21(24)27/h4-11,17H,3,12-13H2,1-2H3,(H,22,25)(H,23,26,27)
InChIKeyGINOMJPZAGYOLE-UHFFFAOYSA-N
XLogP2.36
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115505
propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate
CID 46662323
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783
N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
3-indol-1-yl-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115503
3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide
CID 97260608
3-(2,4-dioxoquinazolin-1-yl)-N-heptan-2-ylpropanamide
CID 51339285
3-(2,4-dioxoquinazolin-1-yl)-N-(1-naphthalen-1-ylethyl)propanamide
CID 46662175
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 51306905
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18121482

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide (CID 24547729) is 3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide is CCC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(OC)cc1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide?
The InChIKey is GINOMJPZAGYOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-17(14-8-10-15(28-2)11-9-14)22-19(25)12-13-24-18-7-5-4-6-16(18)20(26)23-21(24)27/h4-11,17H,3,12-13H2,1-2H3,(H,22,25)(H,23,26,27).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide has a molecular weight of 381.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide is sourced from PubChem (CID 24547729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).