2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one

C22H24N2O3 — CID 168551953

IUPAC2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one
SMILESC=CCc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(OCC)c1OCCC
InChIInChI=1S/C22H24N2O3/c1-4-9-15-13-16(14-19(26-6-3)20(15)27-12-5-2)21-23-18-11-8-7-10-17(18)22(25)24-21/h4,7-8,10-11,13-14H,1,5-6,9,12H2,2-3H3,(H,23,24,25)
InChIKeyGAHMVYWDJBVXQU-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.51
Rot. Bonds8

About 2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one

2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one (PubChem CID 168551953) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one
PubChem CID168551953
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one
SMILESC=CCc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(OCC)c1OCCC
InChIInChI=1S/C22H24N2O3/c1-4-9-15-13-16(14-19(26-6-3)20(15)27-12-5-2)21-23-18-11-8-7-10-17(18)22(25)24-21/h4,7-8,10-11,13-14H,1,5-6,9,12H2,2-3H3,(H,23,24,25)
InChIKeyGAHMVYWDJBVXQU-UHFFFAOYSA-N
XLogP4.51
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one
CID 168551703
2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole
CID 168554525
2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
CID 168551010
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole
CID 168554555
2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168552547
2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551335
2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551050
2-amino-4-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406428
2-(3-ethoxy-5-iodo-4-propoxyphenyl)-1H-benzimidazole
CID 168555067
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one (CID 168551953) is 2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one is C=CCc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(OCC)c1OCCC.
What is the InChIKey of 2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is GAHMVYWDJBVXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-9-15-13-16(14-19(26-6-3)20(15)27-12-5-2)21-23-18-11-8-7-10-17(18)22(25)24-21/h4,7-8,10-11,13-14H,1,5-6,9,12H2,2-3H3,(H,23,24,25).
What are the key properties of 2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one?
2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 364.45 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).