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

C19H18N2O3 — CID 135413589

IUPAC2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCOc1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C19H18N2O3/c1-3-24-16-10-8-13(12-17(16)23-2)9-11-18-20-15-7-5-4-6-14(15)19(22)21-18/h4-12H,3H2,1-2H3,(H,20,21,22)
InChIKeyHWQIYBUTTOJTQA-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.50
Rot. Bonds5

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

2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135413589) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135413589
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCOc1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C19H18N2O3/c1-3-24-16-10-8-13(12-17(16)23-2)9-11-18-20-15-7-5-4-6-14(15)19(22)21-18/h4-12H,3H2,1-2H3,(H,20,21,22)
InChIKeyHWQIYBUTTOJTQA-UHFFFAOYSA-N
XLogP3.50
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135676942
2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135517947
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one
CID 137264237
(Z)-3-(3-ethoxy-4-methoxyphenyl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 136822089
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 136721364
2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole
CID 134468873
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 135734742
2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681127
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] (E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate
CID 135849321
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]prop-2-enamide
CID 135821090
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3H-benzo[g]quinazolin-4-one
CID 136601982
7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135809699

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one (CID 135413589) is 2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one is CCOc1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)cc1OC.
What is the InChIKey of 2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is HWQIYBUTTOJTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-16-10-8-13(12-17(16)23-2)9-11-18-20-15-7-5-4-6-14(15)19(22)21-18/h4-12H,3H2,1-2H3,(H,20,21,22).
What are the key properties of 2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one?
2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 322.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135413589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).