2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one

C18H16N2O3 — CID 135557878

IUPAC2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCOc1cc(/C=C/c2nc3ccccc3c(=O)[nH]2)ccc1O
InChIInChI=1S/C18H16N2O3/c1-2-23-16-11-12(7-9-15(16)21)8-10-17-19-14-6-4-3-5-13(14)18(22)20-17/h3-11,21H,2H2,1H3,(H,19,20,22)/b10-8+
InChIKeyOVSIKKZRQNZCNO-CSKARUKUSA-N
MW308.34 g/mol
LogP3.20
Rot. Bonds4

About 2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one

2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135557878) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135557878
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCOc1cc(/C=C/c2nc3ccccc3c(=O)[nH]2)ccc1O
InChIInChI=1S/C18H16N2O3/c1-2-23-16-11-12(7-9-15(16)21)8-10-17-19-14-6-4-3-5-13(14)18(22)20-17/h3-11,21H,2H2,1H3,(H,19,20,22)/b10-8+
InChIKeyOVSIKKZRQNZCNO-CSKARUKUSA-N
XLogP3.20
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Isaindigotone
CID 135433966
2-(3-hydroxy-4-methoxyphenyl)-3H-quinazolin-4-one
CID 136044076
2-(3-ethoxy-4-hydroxyphenyl)-3H-quinazolin-4-one
CID 136044078
2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4(3H)-one
CID 135464616
2-(3,4-Dihydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 135501581
2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6894412
2-phenoxymethyl-3H-quinazolin-4-one
CID 135416161
2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
CID 135484663
2-[(E)-2-(3-chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135557859
2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681131
2-[2-[(E)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]phenoxy]acetonitrile
CID 135681138

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one (CID 135557878) is 2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one is CCOc1cc(/C=C/c2nc3ccccc3c(=O)[nH]2)ccc1O.
What is the InChIKey of 2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is OVSIKKZRQNZCNO-CSKARUKUSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-23-16-11-12(7-9-15(16)21)8-10-17-19-14-6-4-3-5-13(14)18(22)20-17/h3-11,21H,2H2,1H3,(H,19,20,22)/b10-8+.
What are the key properties of 2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one?
2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 308.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135557878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).