5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one

C15H11NO4 — CID 10221046

IUPAC5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(O)cc(O)c2cc1-c1ccc(O)cc1
InChIInChI=1S/C15H11NO4/c17-9-3-1-8(2-4-9)11-7-12-13(16-15(11)20)5-10(18)6-14(12)19/h1-7,17-19H,(H,16,20)
InChIKeyWWGWIVQHGAYORR-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.31
Rot. Bonds1

About 5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one

5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one (PubChem CID 10221046) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one
PubChem CID10221046
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(O)cc(O)c2cc1-c1ccc(O)cc1
InChIInChI=1S/C15H11NO4/c17-9-3-1-8(2-4-9)11-7-12-13(16-15(11)20)5-10(18)6-14(12)19/h1-7,17-19H,(H,16,20)
InChIKeyWWGWIVQHGAYORR-UHFFFAOYSA-N
XLogP2.31
TPSA93.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one?
The IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one (CID 10221046) is 5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one?
The canonical SMILES for 5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one is O=c1[nH]c2cc(O)cc(O)c2cc1-c1ccc(O)cc1.
What is the InChIKey of 5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one?
The InChIKey is WWGWIVQHGAYORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-9-3-1-8(2-4-9)11-7-12-13(16-15(11)20)5-10(18)6-14(12)19/h1-7,17-19H,(H,16,20).
What are the key properties of 5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one?
5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one has a molecular weight of 269.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 10221046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).