propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate

C23H25N3O5 — CID 46662323

IUPACpropan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C23H25N3O5/c1-15(2)31-21(28)14-18(16-8-4-3-5-9-16)24-20(27)12-13-26-19-11-7-6-10-17(19)22(29)25-23(26)30/h3-11,15,18H,12-14H2,1-2H3,(H,24,27)(H,25,29,30)
InChIKeyIJCYKHSULIWNMH-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.28
Rot. Bonds8

About propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate

propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate (PubChem CID 46662323) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate
PubChem CID46662323
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Namepropan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C23H25N3O5/c1-15(2)31-21(28)14-18(16-8-4-3-5-9-16)24-20(27)12-13-26-19-11-7-6-10-17(19)22(29)25-23(26)30/h3-11,15,18H,12-14H2,1-2H3,(H,24,27)(H,25,29,30)
InChIKeyIJCYKHSULIWNMH-UHFFFAOYSA-N
XLogP2.28
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 24547729
3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 26006226
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783
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
propan-2-yl (3R)-3-[3-(benzimidazol-1-yl)propanoylamino]-3-phenylpropanoate
CID 39168946
N-[(1S)-1-(2-bromophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25479451
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
propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 94194144
3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide
CID 97260608

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate (CID 46662323) is propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate is CC(C)OC(=O)CC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate?
The InChIKey is IJCYKHSULIWNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-15(2)31-21(28)14-18(16-8-4-3-5-9-16)24-20(27)12-13-26-19-11-7-6-10-17(19)22(29)25-23(26)30/h3-11,15,18H,12-14H2,1-2H3,(H,24,27)(H,25,29,30).
What are the key properties of propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate?
propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate has a molecular weight of 423.47 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate is sourced from PubChem (CID 46662323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).