2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one

C22H26N2O2 — CID 54780497

IUPAC2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one
SMILESC=CCOc1ccc(C2(CC)Nc3ccccc3C(=O)N2CCC)cc1
InChIInChI=1S/C22H26N2O2/c1-4-15-24-21(25)19-9-7-8-10-20(19)23-22(24,6-3)17-11-13-18(14-12-17)26-16-5-2/h5,7-14,23H,2,4,6,15-16H2,1,3H3
InChIKeyJZPPTWPRNKRDLW-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.79
Rot. Bonds7

About 2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one

2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one (PubChem CID 54780497) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one
PubChem CID54780497
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one
SMILESC=CCOc1ccc(C2(CC)Nc3ccccc3C(=O)N2CCC)cc1
InChIInChI=1S/C22H26N2O2/c1-4-15-24-21(25)19-9-7-8-10-20(19)23-22(24,6-3)17-11-13-18(14-12-17)26-16-5-2/h5,7-14,23H,2,4,6,15-16H2,1,3H3
InChIKeyJZPPTWPRNKRDLW-UHFFFAOYSA-N
XLogP4.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one?
The IUPAC name of 2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one (CID 54780497) is 2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one.
What is the SMILES notation for 2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one?
The canonical SMILES for 2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one is C=CCOc1ccc(C2(CC)Nc3ccccc3C(=O)N2CCC)cc1.
What is the InChIKey of 2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one?
The InChIKey is JZPPTWPRNKRDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-15-24-21(25)19-9-7-8-10-20(19)23-22(24,6-3)17-11-13-18(14-12-17)26-16-5-2/h5,7-14,23H,2,4,6,15-16H2,1,3H3.
What are the key properties of 2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one?
2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one has a molecular weight of 350.46 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one is sourced from PubChem (CID 54780497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).