1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone

C19H15NO5 — CID 135859880

IUPAC1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone
SMILESCC(=O)c1ccc2ccc(/C=C/c3cc(O)c(O)cc3O)nc2c1O
InChIInChI=1S/C19H15NO5/c1-10(21)14-7-4-11-2-5-13(20-18(11)19(14)25)6-3-12-8-16(23)17(24)9-15(12)22/h2-9,22-25H,1H3/b6-3+
InChIKeyNHFCMSNFRLLTSO-ZZXKWVIFSA-N
MW337.33 g/mol
LogP3.43
Rot. Bonds3

About 1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone

1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone (PubChem CID 135859880) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone.

Molecular Properties

Compound Name1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone
PubChem CID135859880
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone
SMILESCC(=O)c1ccc2ccc(/C=C/c3cc(O)c(O)cc3O)nc2c1O
InChIInChI=1S/C19H15NO5/c1-10(21)14-7-4-11-2-5-13(20-18(11)19(14)25)6-3-12-8-16(23)17(24)9-15(12)22/h2-9,22-25H,1H3/b6-3+
InChIKeyNHFCMSNFRLLTSO-ZZXKWVIFSA-N
XLogP3.43
TPSA110.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone
CID 135491450
2-[(E)-2-(3,4-dihydroxy-5-nitrophenyl)ethenyl]-8-hydroxyquinoline-7-carboxylic acid
CID 135867554
5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol
CID 71406984
methyl 2-[3-[(E)-2-(5-acetyl-8-hydroxyquinolin-2-yl)ethenyl]-4-nitrophenyl]acetate
CID 89102205
methyl 4-[2-(5-acetyl-8-hydroxyquinolin-2-yl)ethenyl]-3-nitrobenzoate
CID 67076231
2-[2-(2-methylphenyl)ethenyl]quinolin-8-ol
CID 2922355
2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol
CID 136765269
2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol
CID 135500758
2-[2-(3,4-dihydroxy-5-methoxyphenyl)ethenyl]-8-hydroxyquinoline-5,7-dicarboxylic acid
CID 136612305
N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide
CID 54063603
2-[2-(2-methoxyphenyl)ethenyl]quinolin-8-ol
CID 2907055
[2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-yl] acetate
CID 141407531

Frequently Asked Questions

What is the IUPAC name of 1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone?
The IUPAC name of 1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone (CID 135859880) is 1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone.
What is the SMILES notation for 1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone?
The canonical SMILES for 1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone is CC(=O)c1ccc2ccc(/C=C/c3cc(O)c(O)cc3O)nc2c1O.
What is the InChIKey of 1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone?
The InChIKey is NHFCMSNFRLLTSO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H15NO5/c1-10(21)14-7-4-11-2-5-13(20-18(11)19(14)25)6-3-12-8-16(23)17(24)9-15(12)22/h2-9,22-25H,1H3/b6-3+.
What are the key properties of 1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone?
1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone has a molecular weight of 337.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone is sourced from PubChem (CID 135859880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).