[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone

C24H17NO5 — CID 135491450

IUPAC[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O
InChIInChI=1S/C24H17NO5/c26-18-9-4-16(5-10-18)23(29)19-11-6-15-3-8-17(25-22(15)24(19)30)7-1-14-2-12-20(27)21(28)13-14/h1-13,26-28,30H/b7-1+
InChIKeyGWFFRTBTZLGGEX-LREOWRDNSA-N
MW399.40 g/mol
LogP4.46
Rot. Bonds4

About [2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone

[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone (PubChem CID 135491450) has the molecular formula C24H17NO5 and a molecular weight of 399.40 g/mol. Its IUPAC name is [2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone
PubChem CID135491450
Molecular FormulaC24H17NO5
Molecular Weight399.40 g/mol
Exact Mass399.11
IUPAC Name[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O
InChIInChI=1S/C24H17NO5/c26-18-9-4-16(5-10-18)23(29)19-11-6-15-3-8-17(25-22(15)24(19)30)7-1-14-2-12-20(27)21(28)13-14/h1-13,26-28,30H/b7-1+
InChIKeyGWFFRTBTZLGGEX-LREOWRDNSA-N
XLogP4.46
TPSA110.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.46
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'}

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Related Compounds

2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]quinoline-6-carboxylic acid
CID 135432892
1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone
CID 135859880
4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164
2-[(E)-2-(3,4-dihydroxy-5-nitrophenyl)ethenyl]-8-hydroxyquinoline-7-carboxylic acid
CID 135867554
4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol
CID 71680339
dimethyl 4-[2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2-dicarboxylate
CID 68979192
(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
CID 5281222
5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol
CID 143585008
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-7-hydroxy-1-benzofuran-6-carboxylic acid
CID 6478847
1-(2,5-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
CID 69261993
(E)-3-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
CID 5281294
methyl 4-[2-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 68977211

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone (CID 135491450) is [2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O.
What is the InChIKey of [2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is GWFFRTBTZLGGEX-LREOWRDNSA-N. The full InChI is InChI=1S/C24H17NO5/c26-18-9-4-16(5-10-18)23(29)19-11-6-15-3-8-17(25-22(15)24(19)30)7-1-14-2-12-20(27)21(28)13-14/h1-13,26-28,30H/b7-1+.
What are the key properties of [2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone?
[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 399.40 g/mol, XLogP of 4.46, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 135491450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).