prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate

C20H23N5O3 — CID 89011711

IUPACprop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate
SMILESC=C(C)OC(=O)N1CCC(c2ncnc3cc(N4CCNC4=O)ccc23)CC1
InChIInChI=1S/C20H23N5O3/c1-13(2)28-20(27)24-8-5-14(6-9-24)18-16-4-3-15(11-17(16)22-12-23-18)25-10-7-21-19(25)26/h3-4,11-12,14H,1,5-10H2,2H3,(H,21,26)
InChIKeyNEOWHDIMKAFUMM-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.01
Rot. Bonds3

About prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate

prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate (PubChem CID 89011711) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate
PubChem CID89011711
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Nameprop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate
SMILESC=C(C)OC(=O)N1CCC(c2ncnc3cc(N4CCNC4=O)ccc23)CC1
InChIInChI=1S/C20H23N5O3/c1-13(2)28-20(27)24-8-5-14(6-9-24)18-16-4-3-15(11-17(16)22-12-23-18)25-10-7-21-19(25)26/h3-4,11-12,14H,1,5-10H2,2H3,(H,21,26)
InChIKeyNEOWHDIMKAFUMM-UHFFFAOYSA-N
XLogP3.01
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate?
The IUPAC name of prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate (CID 89011711) is prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate is C=C(C)OC(=O)N1CCC(c2ncnc3cc(N4CCNC4=O)ccc23)CC1.
What is the InChIKey of prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate?
The InChIKey is NEOWHDIMKAFUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13(2)28-20(27)24-8-5-14(6-9-24)18-16-4-3-15(11-17(16)22-12-23-18)25-10-7-21-19(25)26/h3-4,11-12,14H,1,5-10H2,2H3,(H,21,26).
What are the key properties of prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate?
prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate has a molecular weight of 381.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 4-[7-(2-oxoimidazolidin-1-yl)quinazolin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 89011711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).