2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one

C16H12N2O4 — CID 137255393

IUPAC2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one
SMILESCOc1cc(/C=C/c2nc3ncccc3c(=O)o2)ccc1O
InChIInChI=1S/C16H12N2O4/c1-21-13-9-10(4-6-12(13)19)5-7-14-18-15-11(16(20)22-14)3-2-8-17-15/h2-9,19H,1H3/b7-5+
InChIKeyVYSOFKSMOHANAZ-FNORWQNLSA-N
MW296.28 g/mol
LogP2.47
Rot. Bonds3

About 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one

2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one (PubChem CID 137255393) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one
PubChem CID137255393
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one
SMILESCOc1cc(/C=C/c2nc3ncccc3c(=O)o2)ccc1O
InChIInChI=1S/C16H12N2O4/c1-21-13-9-10(4-6-12(13)19)5-7-14-18-15-11(16(20)22-14)3-2-8-17-15/h2-9,19H,1H3/b7-5+
InChIKeyVYSOFKSMOHANAZ-FNORWQNLSA-N
XLogP2.47
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one
CID 89114870
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
3,4-dihydroxy-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one
CID 155758617
2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 3749691
1-(4-hydroxy-3-methoxyphenyl)-7-pyridin-2-ylhepta-1,6-diene-3,5-dione
CID 68555102
copper;3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]chromen-2-one;1,10-phenanthroline;pentahydrate
CID 139238275
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol
CID 135923992
(E)-5-(4-hydroxy-3-methoxyphenyl)-1-naphthalen-1-ylpent-4-ene-1,3-dione
CID 68815768
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-eneperoxoate
CID 155779332
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one (CID 137255393) is 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one is COc1cc(/C=C/c2nc3ncccc3c(=O)o2)ccc1O.
What is the InChIKey of 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one?
The InChIKey is VYSOFKSMOHANAZ-FNORWQNLSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-21-13-9-10(4-6-12(13)19)5-7-14-18-15-11(16(20)22-14)3-2-8-17-15/h2-9,19H,1H3/b7-5+.
What are the key properties of 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one?
2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one has a molecular weight of 296.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 137255393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).