ethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate

C21H26N4O5 — CID 24793654

IUPACethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C21H26N4O5/c1-2-30-21(29)15-8-11-24(12-9-15)19(27)7-10-22-18(26)13-25-14-23-17-6-4-3-5-16(17)20(25)28/h3-6,14-15H,2,7-13H2,1H3,(H,22,26)
InChIKeyGCEGIDRGTYANDM-UHFFFAOYSA-N
MW414.46 g/mol
LogP0.70
Rot. Bonds7

About ethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate

ethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate (PubChem CID 24793654) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is ethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate
PubChem CID24793654
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Nameethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C21H26N4O5/c1-2-30-21(29)15-8-11-24(12-9-15)19(27)7-10-22-18(26)13-25-14-23-17-6-4-3-5-16(17)20(25)28/h3-6,14-15H,2,7-13H2,1H3,(H,22,26)
InChIKeyGCEGIDRGTYANDM-UHFFFAOYSA-N
XLogP0.70
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate (CID 24793654) is ethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of ethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate?
The InChIKey is GCEGIDRGTYANDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-2-30-21(29)15-8-11-24(12-9-15)19(27)7-10-22-18(26)13-25-14-23-17-6-4-3-5-16(17)20(25)28/h3-6,14-15H,2,7-13H2,1H3,(H,22,26).
What are the key properties of ethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate has a molecular weight of 414.46 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 24793654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).