2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one

C19H16N2O2 — CID 135681131

IUPAC2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESC=CCOc1cccc(/C=C/c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C19H16N2O2/c1-2-12-23-15-7-5-6-14(13-15)10-11-18-20-17-9-4-3-8-16(17)19(22)21-18/h2-11,13H,1,12H2,(H,20,21,22)/b11-10+
InChIKeyHESDAJYAHONPSE-ZHACJKMWSA-N
MW304.35 g/mol
LogP3.66
Rot. Bonds5

About 2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one

2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135681131) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135681131
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESC=CCOc1cccc(/C=C/c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C19H16N2O2/c1-2-12-23-15-7-5-6-14(13-15)10-11-18-20-17-9-4-3-8-16(17)19(22)21-18/h2-11,13H,1,12H2,(H,20,21,22)/b11-10+
InChIKeyHESDAJYAHONPSE-ZHACJKMWSA-N
XLogP3.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.66
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-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one (CID 135681131) is 2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one is C=CCOc1cccc(/C=C/c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is HESDAJYAHONPSE-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-2-12-23-15-7-5-6-14(13-15)10-11-18-20-17-9-4-3-8-16(17)19(22)21-18/h2-11,13H,1,12H2,(H,20,21,22)/b11-10+.
What are the key properties of 2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one?
2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 304.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135681131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).