2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one

C20H22N4O2 — CID 2815279

IUPAC2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(C2Nc3ccccc3C(=O)N2CCN2CCNC2=O)cc1
InChIInChI=1S/C20H22N4O2/c1-14-6-8-15(9-7-14)18-22-17-5-3-2-4-16(17)19(25)24(18)13-12-23-11-10-21-20(23)26/h2-9,18,22H,10-13H2,1H3,(H,21,26)
InChIKeyHAFVOVYRZUIVNG-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.59
Rot. Bonds4

About 2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one

2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one (PubChem CID 2815279) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one
PubChem CID2815279
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(C2Nc3ccccc3C(=O)N2CCN2CCNC2=O)cc1
InChIInChI=1S/C20H22N4O2/c1-14-6-8-15(9-7-14)18-22-17-5-3-2-4-16(17)19(25)24(18)13-12-23-11-10-21-20(23)26/h2-9,18,22H,10-13H2,1H3,(H,21,26)
InChIKeyHAFVOVYRZUIVNG-UHFFFAOYSA-N
XLogP2.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one (CID 2815279) is 2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one is Cc1ccc(C2Nc3ccccc3C(=O)N2CCN2CCNC2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is HAFVOVYRZUIVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-6-8-15(9-7-14)18-22-17-5-3-2-4-16(17)19(25)24(18)13-12-23-11-10-21-20(23)26/h2-9,18,22H,10-13H2,1H3,(H,21,26).
What are the key properties of 2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one?
2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 350.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2815279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).